BDBM50079424 (S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid::CHEMBL316735

SMILES: COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC

InChI Key: InChIKey=CLSJNXXMIVKULC-MUUNZHRXSA-N

Data: 4 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 4 hits for monomerid = 50079424   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50079424 ((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...) Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells				J Med Chem 42: 3026-32 (1999) Article DOI: 10.1021/jm9910425 BindingDB Entry DOI: 10.7270/Q2HD7TV6
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50079424 ((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...) Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Displacement of [125I]ET-1 from human ET-A receptor expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counting method				J Med Chem 59: 8168-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01781
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50079424 ((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...) Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells				J Med Chem 42: 3026-32 (1999) Article DOI: 10.1021/jm9910425 BindingDB Entry DOI: 10.7270/Q2HD7TV6
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50079424 ((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...) Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Displacement of [125I]ET-3 from human ET-B receptor expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counting method				J Med Chem 59: 8168-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b01781
					More data for this Ligand-Target Pair