BDBM50436107 CHEMBL2397415

SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12

InChI Key InChIKey=JJVAPHYEOZSKJZ-UHFFFAOYSA-N

Data  1 KI  4 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 5 hits for monomerid = 50436107   

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50436107BDBM50436107(CHEMBL2397415)
Affinity DataKi:  0.0230nMAssay Description:Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50436107BDBM50436107(CHEMBL2397415)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-cyano-7-ethoxycoumarin conversion to 7-h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50436107BDBM50436107(CHEMBL2397415)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50436107BDBM50436107(CHEMBL2397415)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 7-methoxy-4-trifluoromethylcoumarin conver...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50436107BDBM50436107(CHEMBL2397415)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-cyano-7-ethoxycoumarin conversion to 7-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed