BDBM50071420 CHEMBL72348::N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl)-2-oxo-2-(propane-1-sulfonylamino)-ethylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide

SMILES: CCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=HUDYDAYXYKCRPT-AJQTZOPKSA-N

Data: 2 KI

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

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50071420   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
EDNRB (Homo sapiens (Human))	BDBM50071420 (CHEMBL72348 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...) Show SMILES CCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H39N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-15,17-19,22,31-32,37H,5,16,20-21H2,1-4H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin B receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071420 (CHEMBL72348 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...) Show SMILES CCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H39N5O6S/c1-5-16-48(45,46)40-34(42)31(21-28-22-37-30-9-7-6-8-29(28)30)39-35(43)32(41(4)36(44)27-18-23(2)17-24(3)19-27)20-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-15,17-19,22,31-32,37H,5,16,20-21H2,1-4H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair