BDBM50071443 CHEMBL308269::N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl)-2-oxo-2-phenylmethanesulfonylamino-ethylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide

SMILES: CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=XRUKXLWYVUMZLF-MPQUPPDSSA-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 = 50071443   

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))	BDBM50071443 (CHEMBL308269 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H39N5O6S/c1-26-19-27(2)21-31(20-26)40(48)45(3)36(22-28-13-15-30(16-14-28)37-17-18-42-51-37)39(47)43-35(23-32-24-41-34-12-8-7-11-33(32)34)38(46)44-52(49,50)25-29-9-5-4-6-10-29/h4-21,24,35-36,41H,22-23,25H2,1-3H3,(H,43,47)(H,44,46)/t35-,36+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	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))	BDBM50071443 (CHEMBL308269 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H39N5O6S/c1-26-19-27(2)21-31(20-26)40(48)45(3)36(22-28-13-15-30(16-14-28)37-17-18-42-51-37)39(47)43-35(23-32-24-41-34-12-8-7-11-33(32)34)38(46)44-52(49,50)25-29-9-5-4-6-10-29/h4-21,24,35-36,41H,22-23,25H2,1-3H3,(H,43,47)(H,44,46)/t35-,36+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	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