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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50045256'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50045256
PNG
(CHEMBL2370067 | D-Dip-Leu-Asp-Ile-Ile-Trp)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C48H63N7O8/c1-7-29(5)42(47(62)51-34(27-56)24-33-26-50-36-22-16-15-21-35(33)36)55-48(63)43(30(6)8-2)54-45(60)38(25-39(57)58)52-44(59)37(23-28(3)4)53-46(61)41(49)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-30,34,37-38,40-43,50H,7-8,23-25,49H2,1-6H3,(H,51,62)(H,52,59)(H,53,61)(H,54,60)(H,55,63)(H,57,58)/t29-,30-,34-,37-,38-,41+,42-,43-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells

J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair