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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B/1 receptor' and Ligand = 'BDBM50231138'   
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 receptor type B/1 receptor


(RAT)		BDBM50231138
PNG
(CHEMBL3350293)
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](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23+,29-,30-,31-,32-,34-,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.69E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin receptor from rat heart ventricle

J Med Chem 36: 2585-94 (1993)


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