BDBM50071445 CHEMBL310039::N-[(R)-1-[(S)-2-Ethenesulfonylamino-1-(1H-indol-3-ylmethyl)-2-oxo-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)C=C)C(=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=CSBNIDOCJNQVQX-IOWSJCHKSA-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 = 50071445   

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))	BDBM50071445 (CHEMBL310039 | N-[(R)-1-[(S)-2-Ethenesulfonylamino...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)C=C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H35N5O6S/c1-5-47(44,45)39-33(41)30(20-27-21-36-29-9-7-6-8-28(27)29)38-34(42)31(40(4)35(43)26-17-22(2)16-23(3)18-26)19-24-10-12-25(13-11-24)32-14-15-37-46-32/h5-18,21,30-31,36H,1,19-20H2,2-4H3,(H,38,42)(H,39,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	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))	BDBM50071445 (CHEMBL310039 | N-[(R)-1-[(S)-2-Ethenesulfonylamino...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)C=C)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C35H35N5O6S/c1-5-47(44,45)39-33(41)30(20-27-21-36-29-9-7-6-8-28(27)29)38-34(42)31(40(4)35(43)26-17-22(2)16-23(3)18-26)19-24-10-12-25(13-11-24)32-14-15-37-46-32/h5-18,21,30-31,36H,1,19-20H2,2-4H3,(H,38,42)(H,39,41)/t30-,31+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	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