Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'astruc-diaz' and Initial = 'f'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265741 (CHEMBL523727 | N-(1-(cyclohexylmethyl)-2-((2,3-dih...) Show SMILES CN(c1ccc2n(CC3CCCCC3)c(Cc3ccc4OCCc4c3)nc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H33N3O3S/c1-32(37(34,35)26-10-6-3-7-11-26)25-13-14-28-27(20-25)31-30(33(28)21-22-8-4-2-5-9-22)19-23-12-15-29-24(18-23)16-17-36-29/h3,6-7,10-15,18,20,22H,2,4-5,8-9,16-17,19,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor by competition binding assay				J Med Chem 52: 433-44 (2009) Article DOI: 10.1021/jm801353p BindingDB Entry DOI: 10.7270/Q20G3M2X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 4932-47 (2008) Article DOI: 10.1021/jm8002203 BindingDB Entry DOI: 10.7270/Q2X067ZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50273069 (CHEMBL453472 | tert-Butyl(2Z)-2-(1-hexyl-2-oxo-1,2...) Show SMILES CCCCCCN1C(=O)C(=NNC(=O)OC(C)(C)C)c2ccccc12 |w:10.10| Show InChI InChI=1S/C19H27N3O3/c1-5-6-7-10-13-22-15-12-9-8-11-14(15)16(17(22)23)20-21-18(24)25-19(2,3)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 4932-47 (2008) Article DOI: 10.1021/jm8002203 BindingDB Entry DOI: 10.7270/Q2X067ZQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50273184 (CHEMBL456535 | N-[(3Z)-1-Benzyl-2-oxo-1,2-dihydro-...) Show SMILES O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc12)c1ccccc1 |w:3.2| Show InChI InChI=1S/C22H17N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 4932-47 (2008) Article DOI: 10.1021/jm8002203 BindingDB Entry DOI: 10.7270/Q2X067ZQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50273134 (CHEMBL456803 | N-[(3Z)-1-(1-Butyl)-2-oxo-1,2-dihyd...) Show SMILES CCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc12 |w:8.8| Show InChI InChI=1S/C19H19N3O2/c1-2-3-13-22-16-12-8-7-11-15(16)17(19(22)24)20-21-18(23)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 4932-47 (2008) Article DOI: 10.1021/jm8002203 BindingDB Entry DOI: 10.7270/Q2X067ZQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50273032 (CHEMBL457185 | N'-[(3Z)-1-(1-Hexyl)-2-oxo-1,2-dihy...) Show SMILES CCCCCCN1C(=O)\C(=N/NC(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	44.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 4932-47 (2008) Article DOI: 10.1021/jm8002203 BindingDB Entry DOI: 10.7270/Q2X067ZQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272989 (CHEMBL514406 | N'-[(3Z)-1-(2-Cyclohexylethyl)-2-ox...) Show SMILES O=C(N\N=C1/C(=O)N(CCC2CCCCC2)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-22(18-11-5-2-6-12-18)25-24-21-19-13-7-8-14-20(19)26(23(21)28)16-15-17-9-3-1-4-10-17/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,27)/b24-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 4932-47 (2008) Article DOI: 10.1021/jm8002203 BindingDB Entry DOI: 10.7270/Q2X067ZQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265616 (CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...) Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10| Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 52: 433-44 (2009) Article DOI: 10.1021/jm801353p BindingDB Entry DOI: 10.7270/Q20G3M2X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50265616 (CHEMBL497183 | N'-[(3Z)-1-Hexyl-6-methoxy-2-oxo-1,...) Show SMILES CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccc(OC)cc12 |w:10.10| Show InChI InChI=1S/C22H25N3O3/c1-3-4-5-9-14-25-19-15-17(28-2)12-13-18(19)20(22(25)27)23-24-21(26)16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H] 2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol from human CB2 receptor expressed CHO-K1 cel...				J Med Chem 52: 433-44 (2009) Article DOI: 10.1021/jm801353p BindingDB Entry DOI: 10.7270/Q20G3M2X
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50253810 (CHEMBL459505 | N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1...) Show SMILES CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 Show InChI InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50253810 (CHEMBL459505 | N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1...) Show SMILES CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 Show InChI InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157605 (Liarozole | Liazal | R-75251 | US9963439, Liarozol...) Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1 Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157727 (CHEMBL3786184) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157721 (CHEMBL3786620) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C28H30O4/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157717 (CHEMBL3786581) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H30O4/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-12,17H,13-16H2,1-4H3,(H,27,28)/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157722 (CHEMBL3787323) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C26H32O2S2/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157611 (CHEMBL3787627) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C26H32O4/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM31886 (CD564 | CHEMBL309282) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157722 (CHEMBL3787323) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C26H32O2S2/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157724 (CHEMBL3787564 | US9963439, Compound B) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H26O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157721 (CHEMBL3786620) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C28H30O4/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157727 (CHEMBL3786184) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50033067 (4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H28O2S2/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50033067 (4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H28O2S2/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157731 (CHEMBL3785511 | US9963439, Compound C) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157729 (CHEMBL3787691) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(\COc1ccc(cc1)C(O)=O)=N\O Show InChI InChI=1S/C23H27NO4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24-27)14-28-17-8-5-15(6-9-17)21(25)26/h5-10,13,27H,11-12,14H2,1-4H3,(H,25,26)/b24-20+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM31886 (CD564 | CHEMBL309282) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157604 (CHEMBL3786324) Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3ccc(CCC(O)=O)cc3)ccc12 Show InChI InChI=1S/C24H30O2/c1-23(2)13-14-24(3,4)21-16-19(9-11-20(21)23)15-18-7-5-17(6-8-18)10-12-22(25)26/h5-9,11,16H,10,12-15H2,1-4H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157604 (CHEMBL3786324) Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3ccc(CCC(O)=O)cc3)ccc12 Show InChI InChI=1S/C24H30O2/c1-23(2)13-14-24(3,4)21-16-19(9-11-20(21)23)15-18-7-5-17(6-8-18)10-12-22(25)26/h5-9,11,16H,10,12-15H2,1-4H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157605 (Liarozole | Liazal | R-75251 | US9963439, Liarozol...) Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1 Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157731 (CHEMBL3785511 | US9963439, Compound C) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157729 (CHEMBL3787691) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(\COc1ccc(cc1)C(O)=O)=N\O Show InChI InChI=1S/C23H27NO4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24-27)14-28-17-8-5-15(6-9-17)21(25)26/h5-10,13,27H,11-12,14H2,1-4H3,(H,25,26)/b24-20+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157724 (CHEMBL3787564 | US9963439, Compound B) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H26O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157718 (CHEMBL3785701) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H30O2S2/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-12,17H,13-16H2,1-4H3,(H,27,28)/b12-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157608 (CHEMBL95949) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt 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
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157720 (CHEMBL3786340) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H28O4S/c1-22(2)13-14-23(3,4)20-15-18(10-11-19(20)22)28(26,27)17-8-5-16(6-9-17)7-12-21(24)25/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157723 (CHEMBL3786927) Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3cccc(CC(O)=O)c3)ccc12 Show InChI InChI=1S/C22H26O2S/c1-21(2)10-11-22(3,4)19-14-17(8-9-18(19)21)25-16-7-5-6-15(12-16)13-20(23)24/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157730 (CHEMBL3785557) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C22H26O4S/c1-21(2)11-12-22(3,4)19-14-17(9-10-18(19)21)27(25,26)16-7-5-15(6-8-16)13-20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157728 (CHEMBL3785761) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1cccc(CC(O)=O)c1 Show InChI InChI=1S/C22H26O4S/c1-21(2)10-11-22(3,4)19-14-17(8-9-18(19)21)27(25,26)16-7-5-6-15(12-16)13-20(23)24/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50157719 (CHEMBL3785624) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157608 (CHEMBL95949) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)/b12-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157730 (CHEMBL3785557) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C22H26O4S/c1-21(2)11-12-22(3,4)19-14-17(9-10-18(19)21)27(25,26)16-7-5-15(6-8-16)13-20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157728 (CHEMBL3785761) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1cccc(CC(O)=O)c1 Show InChI InChI=1S/C22H26O4S/c1-21(2)10-11-22(3,4)19-14-17(8-9-18(19)21)27(25,26)16-7-5-6-15(12-16)13-20(23)24/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157726 (CHEMBL3786043) Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(CC(O)=O)cc3)ccc12 Show InChI InChI=1S/C22H26O2S/c1-21(2)11-12-22(3,4)19-14-17(9-10-18(19)21)25-16-7-5-15(6-8-16)13-20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157723 (CHEMBL3786927) Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3cccc(CC(O)=O)c3)ccc12 Show InChI InChI=1S/C22H26O2S/c1-21(2)10-11-22(3,4)19-14-17(8-9-18(19)21)25-16-7-5-6-15(12-16)13-20(23)24/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157719 (CHEMBL3785624) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50032675 (4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157720 (CHEMBL3786340) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H28O4S/c1-22(2)13-14-23(3,4)20-15-18(10-11-19(20)22)28(26,27)17-8-5-16(6-9-17)7-12-21(24)25/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50157722 (CHEMBL3787323) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C26H32O2S2/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,27,28)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis in presence of NADPH				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 26A1 (Homo sapiens (Human))	BDBM50033077 (4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) Article DOI: 10.1021/acs.jmedchem.5b01780 BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair

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