BDBM50071442 CHEMBL72358::N-[(R)-1-[2-(Butane-1-sulfonylamino)-1-cyclohexyl-2-oxo-ethylcarbamoyl]-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)C1CCCCC1

InChI Key: InChIKey=QLRLGCLZQTWZOK-FDOABKJOSA-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 = 50071442   

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))	BDBM50071442 (CHEMBL72358 | N-[(R)-1-[2-(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)C1CCCCC1 Show InChI InChI=1S/C34H44N4O6S/c1-5-6-18-45(42,43)37-33(40)31(27-10-8-7-9-11-27)36-32(39)29(38(4)34(41)28-20-23(2)19-24(3)21-28)22-25-12-14-26(15-13-25)30-16-17-35-44-30/h12-17,19-21,27,29,31H,5-11,18,22H2,1-4H3,(H,36,39)(H,37,40)/t29-,31?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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 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))	BDBM50071442 (CHEMBL72358 | N-[(R)-1-[2-(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)C1CCCCC1 Show InChI InChI=1S/C34H44N4O6S/c1-5-6-18-45(42,43)37-33(40)31(27-10-8-7-9-11-27)36-32(39)29(38(4)34(41)28-20-23(2)19-24(3)21-28)22-25-12-14-26(15-13-25)30-16-17-35-44-30/h12-17,19-21,27,29,31H,5-11,18,22H2,1-4H3,(H,36,39)(H,37,40)/t29-,31?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	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