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BDBM50050019 2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-1-benzyl-5-methyl-1H-imidazole-4-carboxylic acid::CHEMBL435156

SMILES: CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)n1Cc1ccccc1

InChI Key: InChIKey=PQGJAIKXECZWQR-IHLOFXLRSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050019   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EDNRA


(RAT)
BDBM50050019
PNG
(2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C35H44N6O4/c1-23(2)19-30(38-35(45)40-17-11-4-5-12-18-40)33(42)37-29(20-26-21-36-28-16-10-9-15-27(26)28)32-39-31(34(43)44)24(3)41(32)22-25-13-7-6-8-14-25/h6-10,13-16,21,23,29-30,36H,4-5,11-12,17-20,22H2,1-3H3,(H,37,42)(H,38,45)(H,43,44)/t29-,30+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against ET- A Binding to Endothelin A receptor in MMQ cell homogenates


J Med Chem 39: 968-81 (1996)


Article DOI: 10.1021/jm950592+
BindingDB Entry DOI: 10.7270/Q2J38RMT
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Sus scrofa)
BDBM50050019
PNG
(2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C35H44N6O4/c1-23(2)19-30(38-35(45)40-17-11-4-5-12-18-40)33(42)37-29(20-26-21-36-28-16-10-9-15-27(26)28)32-39-31(34(43)44)24(3)41(32)22-25-13-7-6-8-14-25/h6-10,13-16,21,23,29-30,36H,4-5,11-12,17-20,22H2,1-3H3,(H,37,42)(H,38,45)(H,43,44)/t29-,30+/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against ET- B Binding to Endothelin B receptor from porcine cerebellar membranes


J Med Chem 39: 968-81 (1996)


Article DOI: 10.1021/jm950592+
BindingDB Entry DOI: 10.7270/Q2J38RMT
More data for this
Ligand-Target Pair