BDBM50146702 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(2-fluoro-benzyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid::CHEMBL96723

SMILES: Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3ccccc3F)c3ccccc23)c2ccccc2)n1

InChI Key: InChIKey=LFVLYJPEMPWXGS-OFSOJUDTSA-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 = 50146702   

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))	BDBM50146702 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(2-flu...) Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3ccccc3F)c3ccccc23)c2ccccc2)n1 Show InChI InChI=1S/C30H27FN4O4/c1-19-16-20(2)34-29(33-19)39-27(28(37)38)30(22-11-4-3-5-12-22)23-13-7-9-15-25(23)35(26(36)17-32-30)18-21-10-6-8-14-24(21)31/h3-16,27,32H,17-18H2,1-2H3,(H,37,38)/t27-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.1	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))	BDBM50146702 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(2-flu...) Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3ccccc3F)c3ccccc23)c2ccccc2)n1 Show InChI InChI=1S/C30H27FN4O4/c1-19-16-20(2)34-29(33-19)39-27(28(37)38)30(22-11-4-3-5-12-22)23-13-7-9-15-25(23)35(26(36)17-32-30)18-21-10-6-8-14-24(21)31/h3-16,27,32H,17-18H2,1-2H3,(H,37,38)/t27-,30+/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