BDBM50146704 (S)-[(S)-1-(4-Butyl-benzyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid::CHEMBL415010

SMILES: CCCCc1ccc(CN2c3ccccc3[C@](NCC2=O)([C@H](Oc2nc(C)cc(C)n2)C(O)=O)c2ccccc2)cc1

InChI Key: InChIKey=LTFMLNPARFSYNA-FJQKOURKSA-N

Data: 2 IC50

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 = 50146704   

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))	BDBM50146704 ((S)-[(S)-1-(4-Butyl-benzyl)-2-oxo-5-phenyl-2,3,4,5...) Show SMILES CCCCc1ccc(CN2c3ccccc3[C@](NCC2=O)([C@H](Oc2nc(C)cc(C)n2)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C34H36N4O4/c1-4-5-11-25-16-18-26(19-17-25)22-38-29-15-10-9-14-28(29)34(35-21-30(38)39,27-12-7-6-8-13-27)31(32(40)41)42-33-36-23(2)20-24(3)37-33/h6-10,12-20,31,35H,4-5,11,21-22H2,1-3H3,(H,40,41)/t31-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...				J Med Chem 47: 2776-95 (2004) Article DOI: 10.1021/jm031115r BindingDB Entry DOI: 10.7270/Q2Z89BVT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50146704 ((S)-[(S)-1-(4-Butyl-benzyl)-2-oxo-5-phenyl-2,3,4,5...) Show SMILES CCCCc1ccc(CN2c3ccccc3[C@](NCC2=O)([C@H](Oc2nc(C)cc(C)n2)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C34H36N4O4/c1-4-5-11-25-16-18-26(19-17-25)22-38-29-15-10-9-14-28(29)34(35-21-30(38)39,27-12-7-6-8-13-27)31(32(40)41)42-33-36-23(2)20-24(3)37-33/h6-10,12-20,31,35H,4-5,11,21-22H2,1-3H3,(H,40,41)/t31-,34+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...				J Med Chem 47: 2776-95 (2004) Article DOI: 10.1021/jm031115r BindingDB Entry DOI: 10.7270/Q2Z89BVT
					More data for this Ligand-Target Pair