BDBM22889 (Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide::(Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine::(cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine::1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine::1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine::2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine)::2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine)::2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide::2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine)::; N''''''''-cyano-N-methyl-N''''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine::CHEMBL30::Cimetidine::Eureceptor::N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine::N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine::N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine::N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine)::N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine)::N''''''''-cyano-N-methyl-N''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine)::N-Cyano-N''''-methyl-N''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine)::N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-Cyano-guanidine::N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-cyano-guanidine(Cimetidine)::N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine)::N-cyanomethyl-N''''-methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine)::N-methyl-N''''-cyano-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine::N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine::N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine)::N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem::N-tert-Butyl-N''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine)::Tagamet::Tagamet HB::Tagamet hb 200::cemitidine

SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C

InChI Key InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N

Data  10 KI  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 22889   

TargetSolute carrier family 22 member 1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human OCT1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 6(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 4.92E+5nMAssay Description:TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in hOAT1-expressing S2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 8(Rat)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 1.66E+5nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in rOAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 11(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 2.00E+6nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT4-expressing S2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 6(Rat)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 2.00E+6nMAssay Description:TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in rOAT1-expressing S2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 8(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 9.24E+4nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetHistamine H2 receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 1.02E+3nMAssay Description:Inhibition of guinea pig histamine H2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Human)
Ortho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 820nMAssay Description:Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Human)
Ortho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 1.00E+5nMAssay Description:Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetMultidrug and toxin extrusion protein 2(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 3.90E+4nMAssay Description:Inhibition of human MATE2-K expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetMultidrug and toxin extrusion protein 1(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of human MATE1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 2(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistamine H2 receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi:  470nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetHrh3 protein(Rat)
Schering-Plough Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi:  8.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2011
Entry Details Article
PubMed
TargetHistamine H4 receptor(Human)
The Centre For Addiction and Mental Health

Curated by PDSP Ki Database
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2012
Entry Details Article
PubMed
TargetHistamine H4 receptor(Human)
The Centre For Addiction and Mental Health

Curated by PDSP Ki Database
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2012
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetHistamine H4 receptor(Human)
The Centre For Addiction and Mental Health

Curated by PDSP Ki Database
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/molepH: 7.4 T: 2°CAssay Description:Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2008
Entry Details Article
PubMed
TargetSolute carrier family 22 member 8(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi:  5.30E+4nMAssay Description:TP_TRANSPORTER: inhibition of E1S uptake in OAT3 expressing oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 22 member 2(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi:  5.70E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in OCT2 expressing oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetAldehyde oxidase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM22889(N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfa...)
Affinity DataKi:  1.55E+5nMAssay Description:Inhibition of human aldehyde oxidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed