Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50016711   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (RAT)	BDBM50172479 ((S)-FLURBIPROFEN | CHEMBL435298) Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	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 cyclooxygenase-1 in rat blood				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				3D Structure (crystal)
Prostaglandin G/H synthase 1 (RAT)	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	170	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 cyclooxygenase-1 in rat blood				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				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50172479 ((S)-FLURBIPROFEN | CHEMBL435298) Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	910	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 cyclooxygenase-2 in human blood				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				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172466 (2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)	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	4.70E+3	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 2C9 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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50172467 (1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...) Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	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 2D6 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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172465 (1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,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	7.00E+3	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 2C9 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172460 (1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...) Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)	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	1.10E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172472 (2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propiona...) Show SMILES CC(C(N)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H12Cl2FNO/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H2,19,20)	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	1.20E+4	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 100 uM				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))	BDBM50172467 (1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...) Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(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	1.30E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172482 (1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	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 100 uM				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 2C9 (Homo sapiens (Human))	BDBM50172460 (1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...) Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)	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	1.50E+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 2C9 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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172467 (1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...) Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(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	1.70E+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 2C9 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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172468 (1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclop...) Show SMILES OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1 Show InChI InChI=1S/C18H13FO2S/c19-15-9-11(18(7-8-18)17(20)21)5-6-12(15)14-10-22-16-4-2-1-3-13(14)16/h1-6,9-10H,7-8H2,(H,20,21)	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	1.90E+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 2C9 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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172462 (1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-b...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)| Show InChI InChI=1S/C23H22F4O3/c24-20-13-16(22(11-12-22)21(28)29)5-10-19(20)14-1-6-17(7-2-14)30-18-8-3-15(4-9-18)23(25,26)27/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12H2,(H,28,29)	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	2.00E+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 2C9 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172462 (1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-b...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)| Show InChI InChI=1S/C23H22F4O3/c24-20-13-16(22(11-12-22)21(28)29)5-10-19(20)14-1-6-17(7-2-14)30-18-8-3-15(4-9-18)23(25,26)27/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12H2,(H,28,29)	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	2.00E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172478 (2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propioni...) Show SMILES CC(C(=O)OC(C)(C)C)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H19Cl2FO2/c1-11(18(23)24-19(2,3)4)12-5-6-16(17(22)9-12)13-7-14(20)10-15(21)8-13/h5-11H,1-4H3	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	2.00E+4	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 100 uM				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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172475 (2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-propionic...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C21H23FO2/c1-14(21(23)24)18-11-12-19(20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-15H,2-6H2,1H3,(H,23,24)	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	2.10E+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 2D6 (Homo sapiens (Human))	BDBM50172459 (1-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H17FO3/c23-20-13-17(22(11-12-22)21(25)26)7-10-19(20)16-3-1-14(2-4-16)15-5-8-18(24)9-6-15/h1-10,13,24H,11-12H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+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 2D6 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172463 (1-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-cycl...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H12F4O2/c18-14-9-12(16(7-8-16)15(22)23)5-6-13(14)10-1-3-11(4-2-10)17(19,20)21/h1-6,9H,7-8H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	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 100 um				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))	BDBM50172482 (1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50172460 (1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...) Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)	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	2.60E+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 1A2 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50172460 (1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...) Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)	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	2.70E+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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172481 (2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-2-methyl-...) Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)	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	2.80E+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 2C9 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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50172460 (1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...) Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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 2D6 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172459 (1-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H17FO3/c23-20-13-17(22(11-12-22)21(25)26)7-10-19(20)16-3-1-14(2-4-16)15-5-8-18(24)9-6-15/h1-10,13,24H,11-12H2,(H,25,26)	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	3.16E+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))	BDBM50172460 (1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...) Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)	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	3.30E+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
Amyloid-beta precursor 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 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172466 (2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)	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	3.50E+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))	BDBM50172459 (1-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H17FO3/c23-20-13-17(22(11-12-22)21(25)26)7-10-19(20)16-3-1-14(2-4-16)15-5-8-18(24)9-6-15/h1-10,13,24H,11-12H2,(H,25,26)	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	3.50E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50172465 (1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,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	3.80E+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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172482 (1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+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 2C9 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172474 (2-(4'-Cyclohexyloxy-2-fluoro-biphenyl-4-yl)-propio...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(OC2CCCCC2)cc1 Show InChI InChI=1S/C21H23FO3/c1-14(21(23)24)16-9-12-19(20(22)13-16)15-7-10-18(11-8-15)25-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H,23,24)	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	4.10E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172482 (1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+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
Prostaglandin G/H synthase 1 (RAT)	BDBM50172473 ((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...) Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	4.40E+4	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 cyclooxygenase-1 in rat blood				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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172467 (1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...) Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(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	4.60E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172475 (2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-propionic...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C21H23FO2/c1-14(21(23)24)18-11-12-19(20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-15H,2-6H2,1H3,(H,23,24)	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	4.60E+4	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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50172465 (1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,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	4.60E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50172482 (1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172465 (1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,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	5.79E+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 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 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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50172466 (2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)	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	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 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50172477 (1-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-cycloprop...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C22H23FO2/c23-20-14-18(22(12-13-22)21(24)25)10-11-19(20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,24,25)	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	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4 at 100 uM; activation observed				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 3A4 (Homo sapiens (Human))	BDBM50172481 (2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-2-methyl-...) Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)	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	5.90E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172472 (2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propiona...) Show SMILES CC(C(N)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H12Cl2FNO/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H2,19,20)	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	6.40E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172476 (2-(2-Fluoro-4'-methoxy-biphenyl-4-yl)-propionic ac...) Show SMILES COc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O Show InChI InChI=1S/C16H15FO3/c1-10(16(18)19)12-5-8-14(15(17)9-12)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172485 (2-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-2-me...) Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H14F4O2/c1-16(2,15(22)23)12-7-8-13(14(18)9-12)10-3-5-11(6-4-10)17(19,20)21/h3-9H,1-2H3,(H,22,23)	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	7.06E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50172466 (2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)	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 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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172483 (2-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-propioni...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-4-11(14(18)7-9)10-3-5-12(16)13(17)6-10/h2-8H,1H3,(H,19,20)	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	7.50E+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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172469 (2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propioni...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.70E+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

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