Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'alihodžic' and Initial = 's'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393736 (CHEMBL2159140) Show SMILES CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N1C |r| Show InChI InChI=1S/C39H68N2O13/c1-14-26-39(11,47)31(43)21(5)28(42)19(3)17-37(9,46)33(54-35-30-25(16-20(4)49-35)41(12)36(53-30)40-15-2)22(6)29(23(7)34(45)51-26)52-27-18-38(10,48-13)32(44)24(8)50-27/h19-27,29-33,35,43-44,46-47H,14-18H2,1-13H3/b40-36-/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29+,30-,31-,32+,33-,35+,37-,38-,39-/m1/s1	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	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393730 (CHEMBL2159131) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCN(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C43H77N3O13/c1-16-30-43(10,51)35(48)25(4)32(47)23(2)21-42(9,53-15)37(59-39-34-29(20-24(3)54-39)46(13)40(58-34)44-18-17-19-45(11)12)26(5)33(27(6)38(50)56-30)57-31-22-41(8,52-14)36(49)28(7)55-31/h23-31,33-37,39,48-49,51H,16-22H2,1-15H3/b44-40-/t23-,24-,25+,26+,27-,28+,29+,30-,31+,33+,34-,35-,36+,37-,39+,41-,42-,43-/m1/s1	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	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393731 (CHEMBL2159136) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2OC(=Nc2ccc(OC)cc2)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r,w:34.36| Show InChI InChI=1S/C45H73N3O14/c1-15-32-45(10,53)36(49)27(6)46-39(51)23(2)21-44(9,56-14)38(25(4)34(26(5)40(52)59-32)60-33-22-43(8,55-13)37(50)28(7)58-33)62-41-35-31(20-24(3)57-41)48(11)42(61-35)47-29-16-18-30(54-12)19-17-29/h16-19,23-28,31-38,41,49-50,53H,15,20-22H2,1-14H3,(H,46,51)/t23-,24-,25+,26-,27-,28+,31+,32-,33+,34+,35-,36-,37+,38-,41+,43-,44-,45-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393734 (CHEMBL2159133) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@@](C)(C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C41H73N3O13/c1-16-28-41(12,49)32(45)25(8)35(47)43-21(4)18-40(11,51-15)34(57-37-31-27(17-22(5)52-37)44(13)38(56-31)42-20(2)3)23(6)30(24(7)36(48)54-28)55-29-19-39(10,50-14)33(46)26(9)53-29/h20-34,37,45-46,49H,16-19H2,1-15H3,(H,43,47)/b42-38-/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,37+,39-,40-,41-/m1/s1	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393733 (CHEMBL2159134) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C40H70N2O13/c1-15-27-40(12,48)32(44)22(6)29(43)20(4)17-38(10,47)34(55-36-31-26(16-21(5)50-36)42(13)37(54-31)41-19(2)3)23(7)30(24(8)35(46)52-27)53-28-18-39(11,49-14)33(45)25(9)51-28/h19-28,30-34,36,44-45,47-48H,15-18H2,1-14H3/b41-37-/t20-,21-,22+,23+,24-,25+,26+,27-,28+,30+,31-,32-,33+,34-,36+,38-,39-,40-/m1/s1	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+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393729 (CHEMBL2159130) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCSC)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C42H75N3O13S/c1-15-29-42(10,50)33(46)26(6)44-36(48)22(2)20-41(9,52-13)35(58-38-32-28(19-23(3)53-38)45(11)39(57-32)43-17-16-18-59-14)24(4)31(25(5)37(49)55-29)56-30-21-40(8,51-12)34(47)27(7)54-30/h22-35,38,46-47,50H,15-21H2,1-14H3,(H,44,48)/b43-39-/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,38+,40-,41-,42-/m1/s1	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	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393732 (CHEMBL2159135) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C42H75N3O13/c1-17-28-42(13,50)32(46)25(6)43-35(48)21(2)19-41(12,52-16)34(58-37-31-27(18-22(3)53-37)45(14)38(57-31)44-39(8,9)10)23(4)30(24(5)36(49)55-28)56-29-20-40(11,51-15)33(47)26(7)54-29/h21-34,37,46-47,50H,17-20H2,1-16H3,(H,43,48)/b44-38-/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,37+,40-,41-,42-/m1/s1	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393738 (CHEMBL2159138) Show SMILES CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)N1C |r| Show InChI InChI=1S/C40H70N2O13/c1-15-27-40(11,47)32(44)22(5)29(43)20(3)18-39(10,49-14)34(55-36-31-26(17-21(4)50-36)42(12)37(54-31)41-16-2)23(6)30(24(7)35(46)52-27)53-28-19-38(9,48-13)33(45)25(8)51-28/h20-28,30-34,36,44-45,47H,15-19H2,1-14H3/b41-37-/t20-,21-,22+,23+,24-,25+,26+,27-,28+,30+,31-,32-,33+,34-,36+,38-,39-,40-/m1/s1	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393731 (CHEMBL2159136) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2OC(=Nc2ccc(OC)cc2)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r,w:34.36| Show InChI InChI=1S/C45H73N3O14/c1-15-32-45(10,53)36(49)27(6)46-39(51)23(2)21-44(9,56-14)38(25(4)34(26(5)40(52)59-32)60-33-22-43(8,55-13)37(50)28(7)58-33)62-41-35-31(20-24(3)57-41)48(11)42(61-35)47-29-16-18-30(54-12)19-17-29/h16-19,23-28,31-38,41,49-50,53H,15,20-22H2,1-14H3,(H,46,51)/t23-,24-,25+,26-,27-,28+,31+,32-,33+,34+,35-,36-,37+,38-,41+,43-,44-,45-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393736 (CHEMBL2159140) Show SMILES CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N1C |r| Show InChI InChI=1S/C39H68N2O13/c1-14-26-39(11,47)31(43)21(5)28(42)19(3)17-37(9,46)33(54-35-30-25(16-20(4)49-35)41(12)36(53-30)40-15-2)22(6)29(23(7)34(45)51-26)52-27-18-38(10,48-13)32(44)24(8)50-27/h19-27,29-33,35,43-44,46-47H,14-18H2,1-13H3/b40-36-/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29+,30-,31-,32+,33-,35+,37-,38-,39-/m1/s1	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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393735 (CHEMBL2159132) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C41H75N3O12/c1-16-29-41(12,49)33(45)26(8)43(13)20-22(4)18-39(10,48)35(56-37-32-28(17-23(5)51-37)44(14)38(55-32)42-21(2)3)24(6)31(25(7)36(47)53-29)54-30-19-40(11,50-15)34(46)27(9)52-30/h21-35,37,45-46,48-49H,16-20H2,1-15H3/b42-38-/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,37+,39-,40-,41-/m1/s1	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393737 (CHEMBL2159139) Show SMILES CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)N1C |r| Show InChI InChI=1S/C40H73N3O12/c1-15-28-40(11,48)32(44)25(7)42(12)20-21(3)18-38(9,47)34(55-36-31-27(17-22(4)50-36)43(13)37(54-31)41-16-2)23(5)30(24(6)35(46)52-28)53-29-19-39(10,49-14)33(45)26(8)51-29/h21-34,36,44-45,47-48H,15-20H2,1-14H3/b41-37-/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,36+,38-,39-,40-/m1/s1	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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393730 (CHEMBL2159131) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCN(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C43H77N3O13/c1-16-30-43(10,51)35(48)25(4)32(47)23(2)21-42(9,53-15)37(59-39-34-29(20-24(3)54-39)46(13)40(58-34)44-18-17-19-45(11)12)26(5)33(27(6)38(50)56-30)57-31-22-41(8,52-14)36(49)28(7)55-31/h23-31,33-37,39,48-49,51H,16-22H2,1-15H3/b44-40-/t23-,24-,25+,26+,27-,28+,29+,30-,31+,33+,34-,35-,36+,37-,39+,41-,42-,43-/m1/s1	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393733 (CHEMBL2159134) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C40H70N2O13/c1-15-27-40(12,48)32(44)22(6)29(43)20(4)17-38(10,47)34(55-36-31-26(16-21(5)50-36)42(13)37(54-31)41-19(2)3)23(7)30(24(8)35(46)52-27)53-28-18-39(11,49-14)33(45)25(9)51-28/h19-28,30-34,36,44-45,47-48H,15-18H2,1-14H3/b41-37-/t20-,21-,22+,23+,24-,25+,26+,27-,28+,30+,31-,32-,33+,34-,36+,38-,39-,40-/m1/s1	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	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393729 (CHEMBL2159130) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCSC)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C42H75N3O13S/c1-15-29-42(10,50)33(46)26(6)44-36(48)22(2)20-41(9,52-13)35(58-38-32-28(19-23(3)53-38)45(11)39(57-32)43-17-16-18-59-14)24(4)31(25(5)37(49)55-29)56-30-21-40(8,51-12)34(47)27(7)54-30/h22-35,38,46-47,50H,15-21H2,1-14H3,(H,44,48)/b43-39-/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,38+,40-,41-,42-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393734 (CHEMBL2159133) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@@](C)(C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C41H73N3O13/c1-16-28-41(12,49)32(45)25(8)35(47)43-21(4)18-40(11,51-15)34(57-37-31-27(17-22(5)52-37)44(13)38(56-31)42-20(2)3)23(6)30(24(7)36(48)54-28)55-29-19-39(10,50-14)33(46)26(9)53-29/h20-34,37,45-46,49H,16-19H2,1-15H3,(H,43,47)/b42-38-/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,37+,39-,40-,41-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393735 (CHEMBL2159132) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C41H75N3O12/c1-16-29-41(12,49)33(45)26(8)43(13)20-22(4)18-39(10,48)35(56-37-32-28(17-23(5)51-37)44(14)38(55-32)42-21(2)3)24(6)31(25(7)36(47)53-29)54-30-19-40(11,50-15)34(46)27(9)52-30/h21-35,37,45-46,48-49H,16-20H2,1-15H3/b42-38-/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,37+,39-,40-,41-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50373918 (AZITHROMYCIN | Azasite) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393737 (CHEMBL2159139) Show SMILES CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)N1C |r| Show InChI InChI=1S/C40H73N3O12/c1-15-28-40(11,48)32(44)25(7)42(12)20-21(3)18-38(9,47)34(55-36-31-27(17-22(4)50-36)43(13)37(54-31)41-16-2)23(5)30(24(6)35(46)52-28)53-29-19-39(10,49-14)33(45)26(8)51-29/h21-34,36,44-45,47-48H,15-20H2,1-14H3/b41-37-/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,36+,38-,39-,40-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50373918 (AZITHROMYCIN | Azasite) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393732 (CHEMBL2159135) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C42H75N3O13/c1-17-28-42(13,50)32(46)25(6)43-35(48)21(2)19-41(12,52-16)34(58-37-31-27(18-22(3)53-37)45(14)38(57-31)44-39(8,9)10)23(4)30(24(5)36(49)55-28)56-29-20-40(11,51-15)33(47)26(7)54-29/h21-34,37,46-47,50H,17-20H2,1-16H3,(H,43,48)/b44-38-/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,37+,40-,41-,42-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair