Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'huseby' and Initial = 'dl'   

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
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501358 (CHEMBL3947604) Show SMILES [H][C@](NC(=O)[C@@H]1CC(CN)CN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O |r| Show InChI InChI=1S/C38H56BN7O9/c1-5-6-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)38(53)46-21-26(20-40)18-31(46)36(51)45-33(23(3)47)37(52)42-22(2)34(49)44-30(19-32(41)48)35(50)43-24(4)39(54)55/h10-17,22-24,26,30-31,33,47,54-55H,5-9,18-21,40H2,1-4H3,(H2,41,48)(H,42,52)(H,43,50)(H,44,49)(H,45,51)/t22-,23-,24-,26?,30-,31-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501352 (CHEMBL3922978) Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r| Show InChI InChI=1S/C47H67BN6O9/c1-8-9-10-11-13-30-15-17-31(18-16-30)32-19-21-33(22-20-32)45(61)54-23-12-14-36(54)43(59)53-40(28(3)55)44(60)50-27(2)41(57)52-35(26-39(49)56)42(58)51-29(4)48-62-38-25-34-24-37(46(34,5)6)47(38,7)63-48/h15-22,27-29,34-38,40,55H,8-14,23-26H2,1-7H3,(H2,49,56)(H,50,60)(H,51,58)(H,52,57)(H,53,59)/t27-,28-,29-,34-,35-,36-,37-,38+,40-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501354 (CHEMBL3934222) Show SMILES [H][C@](NC(=O)[C@@H]1CC(CN)CN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r| Show InChI InChI=1S/C48H70BN7O9/c1-8-9-10-11-12-30-13-15-32(16-14-30)33-17-19-34(20-18-33)46(63)56-26-31(25-50)21-37(56)44(61)55-41(28(3)57)45(62)52-27(2)42(59)54-36(24-40(51)58)43(60)53-29(4)49-64-39-23-35-22-38(47(35,5)6)48(39,7)65-49/h13-20,27-29,31,35-39,41,57H,8-12,21-26,50H2,1-7H3,(H2,51,58)(H,52,62)(H,53,60)(H,54,59)(H,55,61)/t27-,28-,29-,31?,35-,36-,37-,38-,39+,41-,48-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501357 (CHEMBL3957297) Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1C(=O)CCCCCCCCC)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r| Show InChI InChI=1S/C38H65BN6O9/c1-8-9-10-11-12-13-14-17-31(48)45-18-15-16-27(45)35(51)44-32(23(3)46)36(52)41-22(2)33(49)43-26(21-30(40)47)34(50)42-24(4)39-53-29-20-25-19-28(37(25,5)6)38(29,7)54-39/h22-29,32,46H,8-21H2,1-7H3,(H2,40,47)(H,41,52)(H,42,50)(H,43,49)(H,44,51)/t22-,23-,24-,25-,26-,27-,28-,29+,32-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501351 (CHEMBL3924425) Show SMILES [H][C@](NC(=O)[C@H](CCN)NC(=O)c1ccc(cc1)-c1ccc(CCCC)cc1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)B1O[C@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r| Show InChI InChI=1S/C46H70BN7O8/c1-8-9-12-30-14-16-31(17-15-30)32-18-20-33(21-19-32)41(57)53-36(22-24-49)43(59)54-39(28(3)55)44(60)50-27(2)40(56)52-35(13-10-11-23-48)42(58)51-29(4)47-61-38-26-34-25-37(45(34,5)6)46(38,7)62-47/h14-21,27-29,34-39,55H,8-13,22-26,48-49H2,1-7H3,(H,50,60)(H,51,58)(H,52,56)(H,53,57)(H,54,59)/t27-,28-,29-,34-,35-,36-,37-,38+,39-,46-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501353 (CHEMBL3895001) Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O |r| Show InChI InChI=1S/C37H53BN6O9/c1-5-6-7-8-10-25-12-14-26(15-13-25)27-16-18-28(19-17-27)37(51)44-20-9-11-30(44)35(49)43-32(23(3)45)36(50)40-22(2)33(47)42-29(21-31(39)46)34(48)41-24(4)38(52)53/h12-19,22-24,29-30,32,45,52-53H,5-11,20-21H2,1-4H3,(H2,39,46)(H,40,50)(H,41,48)(H,42,47)(H,43,49)/t22-,23-,24-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase A2B2 using relaxed pNO1 as substrate				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50452872 (CHEMBL4210894) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3nccn3c2cc1F |r| Show InChI InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase A2B2 using relaxed pNO1 as substrate				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501356 (CHEMBL2306366) Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C=O |r| Show InChI InChI=1S/C29H50N6O8/c1-5-6-7-8-9-10-11-14-24(39)35-15-12-13-22(35)28(42)34-25(20(4)37)29(43)32-19(3)26(40)33-21(16-23(30)38)27(41)31-18(2)17-36/h17-22,25,37H,5-16H2,1-4H3,(H2,30,38)(H,31,41)(H,32,43)(H,33,40)(H,34,42)/t18-,19-,20-,21-,22-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50452870 (CHEMBL4203118) Show SMILES Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21 Show InChI InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase A2B2 using relaxed pNO1 as substrate				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50452869 (CHEMBL4206009) Show SMILES Cn1cc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n2ccnc2c1=O Show InChI InChI=1S/C21H17ClN4O2/c1-25-13-18(26-11-10-23-20(26)21(25)28)15-4-8-17(9-5-15)24-19(27)12-14-2-6-16(22)7-3-14/h2-11,13H,12H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase A2B2 using relaxed pNO1 as substrate				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501356 (CHEMBL2306366) Show SMILES CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C=O |r| Show InChI InChI=1S/C29H50N6O8/c1-5-6-7-8-9-10-11-14-24(39)35-15-12-13-22(35)28(42)34-25(20(4)37)29(43)32-19(3)26(40)33-21(16-23(30)38)27(41)31-18(2)17-36/h17-22,25,37H,5-16H2,1-4H3,(H2,30,38)(H,31,41)(H,32,43)(H,33,40)(H,34,42)/t18-,19-,20-,21-,22-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452870 (CHEMBL4203118) Show SMILES Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21 Show InChI InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated testosterone metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452870 (CHEMBL4203118) Show SMILES Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21 Show InChI InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated midazolam metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Signal peptidase I (Escherichia coli (strain K12))	BDBM50501355 (CHEMBL3952118) Show SMILES [H][C@](NC(=O)[C@@H]1CCCN1)([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B1O[C@]2([H])C[C@]3([H])C[C@@]([H])(C3(C)C)[C@]2(C)O1 |r| Show InChI InChI=1S/C28H47BN6O8/c1-13(32-26(41)22(14(2)36)35-24(39)17-8-7-9-31-17)23(38)34-18(12-21(30)37)25(40)33-15(3)29-42-20-11-16-10-19(27(16,4)5)28(20,6)43-29/h13-20,22,31,36H,7-12H2,1-6H3,(H2,30,37)(H,32,41)(H,33,40)(H,34,38)(H,35,39)/t13-,14-,15-,16-,17-,18-,19-,20+,22-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substra...				Bioorg Med Chem 25: 897-911 (2017) Article DOI: 10.1016/j.bmc.2016.12.003 BindingDB Entry DOI: 10.7270/Q20P1321
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452872 (CHEMBL4210894) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3nccn3c2cc1F |r| Show InChI InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated midazolam metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452870 (CHEMBL4203118) Show SMILES Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21 Show InChI InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in CHO cells by patch clamp method				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452871 (CHEMBL4218256) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r| Show InChI InChI=1S/C16H17FN6O/c17-11-5-14-13(6-12(11)21-4-3-9(18)7-21)22(10-1-2-10)16(24)15-19-8-20-23(14)15/h5-6,8-10H,1-4,7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated testosterone metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452871 (CHEMBL4218256) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r| Show InChI InChI=1S/C16H17FN6O/c17-11-5-14-13(6-12(11)21-4-3-9(18)7-21)22(10-1-2-10)16(24)15-19-8-20-23(14)15/h5-6,8-10H,1-4,7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in CHO cells by patch clamp method				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452871 (CHEMBL4218256) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r| Show InChI InChI=1S/C16H17FN6O/c17-11-5-14-13(6-12(11)21-4-3-9(18)7-21)22(10-1-2-10)16(24)15-19-8-20-23(14)15/h5-6,8-10H,1-4,7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated midazolam metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50452872 (CHEMBL4210894) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3nccn3c2cc1F |r| Show InChI InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4-mediated testosterone metabolism in human liver microsomes				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452872 (CHEMBL4210894) Show SMILES N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3nccn3c2cc1F |r| Show InChI InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in CHO cells by patch clamp method				J Med Chem 61: 3565-3581 (2018) Article DOI: 10.1021/acs.jmedchem.7b01892 BindingDB Entry DOI: 10.7270/Q2765HX2
					More data for this Ligand-Target Pair