BDBM50279755 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-heptanoic acid::CHEMBL70972::Seratrodast

SMILES: Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2ccccc2)c(C)c1O

InChI Key: InChIKey=RADRBZBLNXVQEU-UHFFFAOYSA-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 = 50279755   

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
Bile salt export pump (Homo sapiens (Human))	BDBM50279755 (7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,...) Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2ccccc2)c(C)c1O |w:8.8| Show InChI InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-12,25-26H,5,8-9,13H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50279755 (7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,...) Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2ccccc2)c(C)c1O |w:8.8| Show InChI InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-12,25-26H,5,8-9,13H2,1-3H3,(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro concentration of the compound that reduced specific binding of [3H]-U-440619 to guinea pig platelet receptor, TXA2 by 50%				J Med Chem 32: 2214-21 (1989) BindingDB Entry DOI: 10.7270/Q2WH2P0W
					More data for this Ligand-Target Pair