BDBM50071424 CHEMBL263301::N-[(R)-1-[1-(Butane-1-sulfonylaminocarbonyl)-2-hydroxy-propylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide

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

InChI Key: InChIKey=WETZUHODUGXVKY-PYLWXJQRSA-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 = 50071424   

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))	BDBM50071424 (CHEMBL263301 | N-[(R)-1-[1-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)O Show InChI InChI=1S/C30H38N4O7S/c1-6-7-14-42(39,40)33-29(37)27(21(4)35)32-28(36)25(34(5)30(38)24-16-19(2)15-20(3)17-24)18-22-8-10-23(11-9-22)26-12-13-31-41-26/h8-13,15-17,21,25,27,35H,6-7,14,18H2,1-5H3,(H,32,36)(H,33,37)/t21?,25-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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 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))	BDBM50071424 (CHEMBL263301 | N-[(R)-1-[1-(Butane-1-sulfonylamino...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)O Show InChI InChI=1S/C30H38N4O7S/c1-6-7-14-42(39,40)33-29(37)27(21(4)35)32-28(36)25(34(5)30(38)24-16-19(2)15-20(3)17-24)18-22-8-10-23(11-9-22)26-12-13-31-41-26/h8-13,15-17,21,25,27,35H,6-7,14,18H2,1-5H3,(H,32,36)(H,33,37)/t21?,25-,27?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	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