BDBM50382993 CHEMBL2030702

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O

InChI Key InChIKey=HFIFXIGKSQVTPB-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50382993   

TargetRelaxin-3 receptor 1(Human)
University of Melbourne

Curated by ChEMBL
LigandPNGBDBM50382993(CHEMBL2030702)
Affinity DataIC50: 12.6nMAssay Description:Agonist activity at RXFP3 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs by beta galactosidase r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetRelaxin-3 receptor 2(Human)
University of Melbourne

Curated by ChEMBL
LigandPNGBDBM50382993(CHEMBL2030702)
Affinity DataIC50: 3.47nMAssay Description:Agonist activity at RXFP4 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs by beta galactosidase r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetRelaxin-3 receptor 1(Human)
University of Melbourne

Curated by ChEMBL
LigandPNGBDBM50382993(CHEMBL2030702)
Affinity DataKi:  110nMAssay Description:Displacement of europium-labelled H3 relaxin-B chain/INSL-5 chain from RXFP3 expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetRelaxin receptor 1(Human)
University of Melbourne

Curated by ChEMBL
LigandPNGBDBM50382993(CHEMBL2030702)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of europium-labelled H2 relaxin from RXFP1 expressed in HEK-293T cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed