Compile Data Set for Download or QSAR

Found 167 hits of ic50 for UniProtKB: P20815   

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 3A4/3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113174 BindingDB Entry DOI: 10.7270/Q26M3BM1
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation us...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50123453 (CHEMBL3623290) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A5 (unknown origin)				J Med Chem 58: 8200-15 (2015) Article DOI: 10.1021/acs.jmedchem.5b01073 BindingDB Entry DOI: 10.7270/Q29P33FH
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM39347 (CLOBETASOL PROPIONATE | MLS000028708 | SMR00005874...) Show SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13| Show InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Telormedix SA US Patent					Assay Description The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...				US Patent US9173935 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P8S
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
Telormedix SA US Patent					Assay Description The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...				US Patent US9180183 (2015) BindingDB Entry DOI: 10.7270/Q2B27T2W
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50030448 (8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...) Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45| Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of human CYP3A5 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated with compound before substrate addit...				Drug Metab Dispos 40: 655-61 (2012) Article DOI: 10.1124/dmd.111.043018 BindingDB Entry DOI: 10.7270/Q22Z1796
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation us...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490735 (CHEMBL1863002 | DNDI1449875) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1)c1cncnc1 Show InChI InChI=1S/C22H20Cl2FN5O/c23-16-1-4-18(5-2-16)28-22(31)30-9-7-29(8-10-30)21(15-12-26-14-27-13-15)19-6-3-17(24)11-20(19)25/h1-6,11-14,21H,7-10H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by...				J Med Chem 63: 1415-1433 (2020) Article DOI: 10.1021/acs.jmedchem.9b02067 BindingDB Entry DOI: 10.7270/Q2NS0Z6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50081468 (CHEMBL3422028) Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	556	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490750 (CHEMBL2334336) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H21ClFN3O2S/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)26-11-13-27(14-12-26)30(28,29)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50014757 ((4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-m...) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl Show InChI InChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50030448 (8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...) Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45| Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of human CYP3A5 expressed in supersomes assessed inhibition of 1'-OH midazolam formation by LC-MS method				Drug Metab Dispos 40: 655-61 (2012) Article DOI: 10.1124/dmd.111.043018 BindingDB Entry DOI: 10.7270/Q22Z1796
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50435005 (CHEMBL2386285) Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1 Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	723	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490748 (CHEMBL1863056 | DNDI1435775) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C19H24ClN3O2S/c1-15(2)26(24,25)23-12-10-22(11-13-23)19(17-4-3-9-21-14-17)16-5-7-18(20)8-6-16/h3-9,14-15,19H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50113995 (CHEMBL3605542) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-15-9-12(17(18,19)20)6-7-14(15)22-16(24)11(2)23-27(25,26)13-5-4-8-21-10-13/h4-11,23H,3H2,1-2H3/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485474 (CHEMBL1862838 | DNDI1322027) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C18H12Cl2FNO/c19-14-5-3-12(4-6-14)18(23,13-2-1-9-22-11-13)16-8-7-15(20)10-17(16)21/h1-11,23H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50364653 (CHEMBL1951443) Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N4O2/c1-15(2)24-21(27)18-4-3-5-20(14-18)26-22(28)25-19-8-6-16(7-9-19)17-10-12-23-13-11-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490744 (CHEMBL1862905 | DNDI1467768) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H25ClFN3O/c1-21(2,3)20(27)26-11-9-25(10-12-26)19(15-5-4-8-24-14-15)17-7-6-16(22)13-18(17)23/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490737 (CHEMBL1863288 | DNDI1538112) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C18H19F4N3O2S/c1-28(26,27)25-9-7-24(8-10-25)17(13-3-2-6-23-12-13)15-5-4-14(11-16(15)19)18(20,21)22/h2-6,11-12,17H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485473 (CHEMBL1863499 | DNDI1336037) Show SMILES CC(C)Oc1ccc(cc1)C(O)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H19ClFNO2/c1-14(2)26-18-8-5-15(6-9-18)21(25,16-4-3-11-24-13-16)19-10-7-17(22)12-20(19)23/h3-14,25H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490736 (CHEMBL1863145 | DNDI1343536) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C17H19ClFN3O2S/c1-25(23,24)22-9-7-21(8-10-22)17(13-3-2-6-20-12-13)15-5-4-14(18)11-16(15)19/h2-6,11-12,17H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485466 (CHEMBL1863004 | DNDI1335913) Show SMILES CC(C)Oc1ccc(cc1)C(O)(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H20F3NO2/c1-15(2)28-20-11-9-17(10-12-20)21(27,19-4-3-13-26-14-19)16-5-7-18(8-6-16)22(23,24)25/h3-15,27H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485471 (CHEMBL1863383 | DNDI1335912) Show SMILES OC(c1ccc(cc1)C(F)(F)F)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C19H12ClF4NO/c20-15-7-8-16(17(21)10-15)18(26,14-2-1-9-25-11-14)12-3-5-13(6-4-12)19(22,23)24/h1-11,26H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50364661 (CHEMBL1951339) Show SMILES CC(C)N(C(C)C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1 Show InChI InChI=1S/C26H28N6O2/c1-16(2)32(17(3)4)25(33)19-6-5-7-21(14-19)31-26(34)30-20-10-8-18(9-11-20)22-12-13-27-24-23(22)28-15-29-24/h5-17H,1-4H3,(H,27,28,29)(H2,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490742 (CHEMBL1863462 | DNDI1460901) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C20H21ClFN3O/c21-16-5-6-17(18(22)12-16)19(15-2-1-7-23-13-15)24-8-10-25(11-9-24)20(26)14-3-4-14/h1-2,5-7,12-14,19H,3-4,8-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490749 (CHEMBL1862798 | DNDI1434923) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H22ClN3O2S/c23-20-10-8-18(9-11-20)22(19-5-4-12-24-17-19)25-13-15-26(16-14-25)29(27,28)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490743 (CHEMBL1863046 | DNDI1434940) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H25ClFN3O2/c1-21(2,3)28-20(27)26-11-9-25(10-12-26)19(15-5-4-8-24-14-15)17-7-6-16(22)13-18(17)23/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485476 (CHEMBL1863160 | DNDI1294211) Show SMILES CC(C)Oc1ccc(cc1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C21H20ClNO2/c1-15(2)25-20-11-7-17(8-12-20)21(24,18-4-3-13-23-14-18)16-5-9-19(22)10-6-16/h3-15,24H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490753 (CHEMBL1863455 | DNDI1465083) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H26F3N3O/c1-21(2,3)20(29)28-13-11-27(12-14-28)19(17-5-4-10-26-15-17)16-6-8-18(9-7-16)22(23,24)25/h4-10,15,19H,11-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50584760 (CHEMBL2068968) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of recombinant human CYP3A5 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485475 (CHEMBL1863146 | DNDI1336031) Show SMILES NC(=O)c1cccc(c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C19H15ClN2O2/c20-17-8-6-14(7-9-17)19(24,16-5-2-10-22-12-16)15-4-1-3-13(11-15)18(21)23/h1-12,24H,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50584761 (BUFALIN | Bufalin | CHEBI:517248) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of recombinant human CYP3A5 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490741 (CHEMBL2334337) Show SMILES Cc1csc(n1)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H20ClFN4OS/c1-14-13-29-20(25-14)21(28)27-9-7-26(8-10-27)19(15-3-2-6-24-12-15)17-5-4-16(22)11-18(17)23/h2-6,11-13,19H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490751 (CHEMBL1863306 | DNDI1434944) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H24ClFN4O2/c1-20(2,3)28-19(27)26-8-6-25(7-9-26)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490745 (CHEMBL1863273 | DNDI1338491) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C17H20ClN3O2S/c1-24(22,23)21-11-9-20(10-12-21)17(15-3-2-8-19-13-15)14-4-6-16(18)7-5-14/h2-8,13,17H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490746 (CHEMBL1863393 | DNDI1388149) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)C1CCCCC1)c1cccnc1 Show InChI InChI=1S/C23H27ClFN3O/c24-19-8-9-20(21(25)15-19)22(18-7-4-10-26-16-18)27-11-13-28(14-12-27)23(29)17-5-2-1-3-6-17/h4,7-10,15-17,22H,1-3,5-6,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490752 (CHEMBL1862941 | DNDI1551253) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H25F4N3O/c1-21(2,3)20(30)29-11-9-28(10-12-29)19(15-5-4-8-27-14-15)17-7-6-16(13-18(17)23)22(24,25)26/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485468 (CHEMBL1863039 | DNDI1467766) Show SMILES NC(=O)c1cccc(c1)C(O)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C19H14ClFN2O2/c20-15-6-7-16(17(21)10-15)19(25,14-5-2-8-23-11-14)13-4-1-3-12(9-13)18(22)24/h1-11,25H,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485467 (CHEMBL1863325 | DNDI1574842) Show SMILES OC(c1ccc(cc1)C(F)(F)F)(c1cccnc1)c1ccc(cc1F)C#N Show InChI InChI=1S/C20H12F4N2O/c21-18-10-13(11-25)3-8-17(18)19(27,16-2-1-9-26-12-16)14-4-6-15(7-5-14)20(22,23)24/h1-10,12,27H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485470 (CHEMBL1863007 | DNDI1342987) Show SMILES CC(C)Oc1ncc(cn1)C(O)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C19H17ClFN3O2/c1-12(2)26-18-23-10-14(11-24-18)19(25,13-4-3-7-22-9-13)16-6-5-15(20)8-17(16)21/h3-12,25H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50265673 (CHEMBL4068611) Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13| Show InChI InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Inhibition of CYP3A5 (unknown origin)				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485469 (CHEMBL1863183 | DNDI1268111) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1cncnc1 Show InChI InChI=1S/C16H12ClN3O/c17-15-5-3-12(4-6-15)16(21,13-2-1-7-18-8-13)14-9-19-11-20-10-14/h1-11,21H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50584760 (CHEMBL2068968) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of recombinant human CYP3A5 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50364645 (CHEMBL1951342) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C25H24N6O2/c32-24(31-13-2-1-3-14-31)18-5-4-6-20(15-18)30-25(33)29-19-9-7-17(8-10-19)21-11-12-26-23-22(21)27-16-28-23/h4-12,15-16H,1-3,13-14H2,(H,26,27,28)(H2,29,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
					More data for this Ligand-Target Pair

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