BDBM50146700 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-5-(3-ethyl-phenyl)-1-(4-methoxy-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid::CHEMBL96932

SMILES: CCc1cccc(c1)[C@@]1(NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc12)[C@H](Oc1nc(C)cc(C)n1)C(O)=O

InChI Key: InChIKey=FJHPXCQTPSEFDQ-NDKRRWIDSA-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 = 50146700   

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))	BDBM50146700 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-5-(3-eth...) Show SMILES CCc1cccc(c1)[C@@]1(NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc12)[C@H](Oc1nc(C)cc(C)n1)C(O)=O Show InChI InChI=1S/C33H34N4O5/c1-5-23-9-8-10-25(18-23)33(30(31(39)40)42-32-35-21(2)17-22(3)36-32)27-11-6-7-12-28(27)37(29(38)19-34-33)20-24-13-15-26(41-4)16-14-24/h6-18,30,34H,5,19-20H2,1-4H3,(H,39,40)/t30-,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	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))	BDBM50146700 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-5-(3-eth...) Show SMILES CCc1cccc(c1)[C@@]1(NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc12)[C@H](Oc1nc(C)cc(C)n1)C(O)=O Show InChI InChI=1S/C33H34N4O5/c1-5-23-9-8-10-25(18-23)33(30(31(39)40)42-32-35-21(2)17-22(3)36-32)27-11-6-7-12-28(27)37(29(38)19-34-33)20-24-13-15-26(41-4)16-14-24/h6-18,30,34H,5,19-20H2,1-4H3,(H,39,40)/t30-,33+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	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