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BDBM50050063 2-[(R)-1-[(S)-2-(Cyclohexyl-methyl-carbamoyloxy)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid::CHEMBL175698

SMILES: CC(C)C[C@H](OC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1

InChI Key: InChIKey=VFJNRIMZXJQZIA-NOZRDPDXSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050063   
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
EDNRB


(Homo sapiens (Human))
BDBM50050063
PNG
(2-[(R)-1-[(S)-2-(Cyclohexyl-methyl-carbamoyloxy)-4...)
Show SMILES CC(C)C[C@H](OC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O6/c1-18(2)15-25(40-30(38)34(5)21-11-7-6-8-12-21)27(35)31-23(28-32-26(29(36)37)19(3)39-28)16-20-17-33(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,35)(H,36,37)/t23-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50050063
PNG
(2-[(R)-1-[(S)-2-(Cyclohexyl-methyl-carbamoyloxy)-4...)
Show SMILES CC(C)C[C@H](OC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O6/c1-18(2)15-25(40-30(38)34(5)21-11-7-6-8-12-21)27(35)31-23(28-32-26(29(36)37)19(3)39-28)16-20-17-33(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,35)(H,36,37)/t23-,25+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair