BDBM50071436 CHEMBL306950::N-[(R)-1-[(S)-2-(Butane-1-sulfonylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide

SMILES: CCCCS(=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=XBKVYIJFYBIMJN-JHOUSYSJSA-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 = 50071436   

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))	BDBM50071436 (CHEMBL306950 | N-[(R)-1-[(S)-2-(Butane-1-sulfonyla...) Show SMILES CCCCS(=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/C37H41N5O6S/c1-5-6-17-49(46,47)41-35(43)32(22-29-23-38-31-10-8-7-9-30(29)31)40-36(44)33(42(4)37(45)28-19-24(2)18-25(3)20-28)21-26-11-13-27(14-12-26)34-15-16-39-48-34/h7-16,18-20,23,32-33,38H,5-6,17,21-22H2,1-4H3,(H,40,44)(H,41,43)/t32-,33+/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))	BDBM50071436 (CHEMBL306950 | N-[(R)-1-[(S)-2-(Butane-1-sulfonyla...) Show SMILES CCCCS(=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/C37H41N5O6S/c1-5-6-17-49(46,47)41-35(43)32(22-29-23-38-31-10-8-7-9-30(29)31)40-36(44)33(42(4)37(45)28-19-24(2)18-25(3)20-28)21-26-11-13-27(14-12-26)34-15-16-39-48-34/h7-16,18-20,23,32-33,38H,5-6,17,21-22H2,1-4H3,(H,40,44)(H,41,43)/t32-,33+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	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