BDBM50172461 1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terphenyl-4''-yl)-cyclopropanecarboxylic acid::CHEMBL372846

SMILES: OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1

InChI Key: InChIKey=PNSGYWXRFOWVFA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50172461   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50172461 (1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terpheny...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H16F2O3/c23-19-11-14(3-7-17(19)13-1-5-16(25)6-2-13)18-8-4-15(12-20(18)24)22(9-10-22)21(26)27/h1-8,11-12,25H,9-10H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50172461 (1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terpheny...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H16F2O3/c23-19-11-14(3-7-17(19)13-1-5-16(25)6-2-13)18-8-4-15(12-20(18)24)22(9-10-22)21(26)27/h1-8,11-12,25H,9-10H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50172461 (1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terpheny...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H16F2O3/c23-19-11-14(3-7-17(19)13-1-5-16(25)6-2-13)18-8-4-15(12-20(18)24)22(9-10-22)21(26)27/h1-8,11-12,25H,9-10H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50172461 (1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terpheny...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H16F2O3/c23-19-11-14(3-7-17(19)13-1-5-16(25)6-2-13)18-8-4-15(12-20(18)24)22(9-10-22)21(26)27/h1-8,11-12,25H,9-10H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Concentration required to inhibit A beta 40 peptide				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair