Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'klein' and Initial = 'll'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150028 ((5R,6R)-1-Benzoyl-5-benzyl-6-hydroxy-2,4-bis-(4-hy...) Show SMILES O[C@@H]1CN(N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C32H31N3O5/c36-27-15-11-24(12-16-27)20-33-29(19-23-7-3-1-4-8-23)30(38)22-34(31(39)26-9-5-2-6-10-26)35(32(33)40)21-25-13-17-28(37)18-14-25/h1-18,29-30,36-38H,19-22H2/t29-,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of HIV protease				Bioorg Med Chem Lett 14: 4075-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.036 BindingDB Entry DOI: 10.7270/Q25B01ZK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM192 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxyp...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-28-15-11-26(12-16-28)21-34-30(19-24-7-3-1-4-8-24)31(38)23-33(20-25-9-5-2-6-10-25)35(32(34)39)22-27-13-17-29(37)18-14-27/h1-18,30-31,36-38H,19-23H2/t30-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of HIV protease				Bioorg Med Chem Lett 14: 4075-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.036 BindingDB Entry DOI: 10.7270/Q25B01ZK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150033 ((5R,6R)-1-Benzenesulfonyl-5-benzyl-6-hydroxy-2,4-b...) Show SMILES O[C@@H]1CN(N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31N3O6S/c35-26-15-11-24(12-16-26)20-32-29(19-23-7-3-1-4-8-23)30(37)22-34(41(39,40)28-9-5-2-6-10-28)33(31(32)38)21-25-13-17-27(36)18-14-25/h1-18,29-30,35-37H,19-22H2/t29-,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of HIV protease				Bioorg Med Chem Lett 14: 4075-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.036 BindingDB Entry DOI: 10.7270/Q25B01ZK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50267297 (CHEMBL507731 | Methyl (S)-1-((2S,4S,5S)-5-((S)-2-(...) Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C47H60N6O6/c1-46(2,3)40(51-44(57)59-7)42(55)49-36(28-33-21-23-35(24-22-33)37-20-14-15-25-48-37)30-39(54)38(29-32-16-10-8-11-17-32)50-43(56)41(47(4,5)6)53-27-26-52(45(53)58)31-34-18-12-9-13-19-34/h8-25,36,38-41,54H,26-31H2,1-7H3,(H,49,55)(H,50,56)(H,51,57)/t36-,38-,39-,40+,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) assessed as midazolam 1'- hydroxylation				J Med Chem 52: 2571-86 (2009) Article DOI: 10.1021/jm900044w BindingDB Entry DOI: 10.7270/Q2G160Q0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50267295 (CHEMBL470508 | Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C49H65N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-25,36,38-39,41-42,57,62H,26-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38+,39+,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	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) assessed as midazolam 1'- hydroxylation				J Med Chem 52: 2571-86 (2009) Article DOI: 10.1021/jm900044w BindingDB Entry DOI: 10.7270/Q2G160Q0
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50267295 (CHEMBL470508 | Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C49H65N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-25,36,38-39,41-42,57,62H,26-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38+,39+,41-,42-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin)				J Med Chem 52: 2571-86 (2009) Article DOI: 10.1021/jm900044w BindingDB Entry DOI: 10.7270/Q2G160Q0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50267297 (CHEMBL507731 | Methyl (S)-1-((2S,4S,5S)-5-((S)-2-(...) Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C47H60N6O6/c1-46(2,3)40(51-44(57)59-7)42(55)49-36(28-33-21-23-35(24-22-33)37-20-14-15-25-48-37)30-39(54)38(29-32-16-10-8-11-17-32)50-43(56)41(47(4,5)6)53-27-26-52(45(53)58)31-34-18-12-9-13-19-34/h8-25,36,38-41,54H,26-31H2,1-7H3,(H,49,55)(H,50,56)(H,51,57)/t36-,38-,39-,40+,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				J Med Chem 52: 2571-86 (2009) Article DOI: 10.1021/jm900044w BindingDB Entry DOI: 10.7270/Q2G160Q0
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50267297 (CHEMBL507731 | Methyl (S)-1-((2S,4S,5S)-5-((S)-2-(...) Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C47H60N6O6/c1-46(2,3)40(51-44(57)59-7)42(55)49-36(28-33-21-23-35(24-22-33)37-20-14-15-25-48-37)30-39(54)38(29-32-16-10-8-11-17-32)50-43(56)41(47(4,5)6)53-27-26-52(45(53)58)31-34-18-12-9-13-19-34/h8-25,36,38-41,54H,26-31H2,1-7H3,(H,49,55)(H,50,56)(H,51,57)/t36-,38-,39-,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin)				J Med Chem 52: 2571-86 (2009) Article DOI: 10.1021/jm900044w BindingDB Entry DOI: 10.7270/Q2G160Q0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50267295 (CHEMBL470508 | Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C49H65N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-25,36,38-39,41-42,57,62H,26-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38+,39+,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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				J Med Chem 52: 2571-86 (2009) Article DOI: 10.1021/jm900044w BindingDB Entry DOI: 10.7270/Q2G160Q0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174973 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CCc2ccncc2)ccc1O Show InChI InChI=1S/C35H38N4O7/c1-45-32-19-26(8-11-29(32)40)21-37-28(18-25-6-4-3-5-7-25)31(42)23-38(34(43)13-10-24-14-16-36-17-15-24)39(35(37)44)22-27-9-12-30(41)33(20-27)46-2/h3-9,11-12,14-17,19-20,28,31,40-42H,10,13,18,21-23H2,1-2H3/t28-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174993 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CCCCN2CCOCC2)ccc1O Show InChI InChI=1S/C36H46N4O8/c1-46-33-21-27(11-13-30(33)41)23-38-29(20-26-8-4-3-5-9-26)32(43)25-39(35(44)10-6-7-15-37-16-18-48-19-17-37)40(36(38)45)24-28-12-14-31(42)34(22-28)47-2/h3-5,8-9,11-14,21-22,29,32,41-43H,6-7,10,15-20,23-25H2,1-2H3/t29-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174986 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CCCN2CCOCC2)ccc1O Show InChI InChI=1S/C35H44N4O8/c1-45-32-20-26(10-12-29(32)40)22-37-28(19-25-7-4-3-5-8-25)31(42)24-38(34(43)9-6-14-36-15-17-47-18-16-36)39(35(37)44)23-27-11-13-30(41)33(21-27)46-2/h3-5,7-8,10-13,20-21,28,31,40-42H,6,9,14-19,22-24H2,1-2H3/t28-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12210 ((2S)-N-[(2S,3R)-3-hydroxy-4-({4-[(1E)-(hydroxyimin...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(CN=O)cc1 |r| Show InChI InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,22-24,30-32,41H,15-21H2,1-5H3,(H,37,42)/t30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174969 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CN2CCNCC2)ccc1O Show InChI InChI=1S/C33H41N5O7/c1-44-30-17-24(8-10-27(30)39)19-36-26(16-23-6-4-3-5-7-23)29(41)21-37(32(42)22-35-14-12-34-13-15-35)38(33(36)43)20-25-9-11-28(40)31(18-25)45-2/h3-11,17-18,26,29,34,39-41H,12-16,19-22H2,1-2H3/t26-,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174985 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CN2CCCC2)ccc1O Show InChI InChI=1S/C33H40N4O7/c1-43-30-17-24(10-12-27(30)38)19-35-26(16-23-8-4-3-5-9-23)29(40)21-36(32(41)22-34-14-6-7-15-34)37(33(35)42)20-25-11-13-28(39)31(18-25)44-2/h3-5,8-13,17-18,26,29,38-40H,6-7,14-16,19-22H2,1-2H3/t26-,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12213 ((2S)-N-[(2S,3R)-3-hydroxy-4-({3-[(1E)-(hydroxyimin...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CN=O)c1 |r| Show InChI InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-9-12-27(16-29)18-35-44)21-31(41)30(17-26-10-7-6-8-11-26)37-33(42)32(24(3)4)40-15-14-38(34(40)43)20-28-22-47-25(5)36-28/h6-13,16,22-24,30-32,41H,14-15,17-21H2,1-5H3,(H,37,42)/t30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12209 ((2S)-N-[(2S,3R)-3-hydroxy-4-{[4-(hydroxymethyl)ben...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C34H47N5O6S2/c1-23(2)18-38(47(44,45)29-13-11-27(21-40)12-14-29)20-31(41)30(17-26-9-7-6-8-10-26)36-33(42)32(24(3)4)39-16-15-37(34(39)43)19-28-22-46-25(5)35-28/h6-14,22-24,30-32,40-41H,15-21H2,1-5H3,(H,36,42)/t30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50250183 (CHEMBL503188 | N-{3-[(4S)-4-Benzylamino-1-hydroxy-...) Show SMILES CC(C)CC[C@@]1(NCc2ccccc2)C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)c2ccccc12 |r,t:18| Show InChI InChI=1S/C30H32N4O6S2/c1-19(2)15-16-30(31-18-20-9-5-4-6-10-20)23-12-8-7-11-22(23)27(35)26(28(30)36)29-32-24-14-13-21(33-41(3,37)38)17-25(24)42(39,40)34-29/h4-14,17,19,26,31,33H,15-16,18H2,1-3H3,(H,32,34)/t26?,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting				J Med Chem 52: 3174-83 (2009) Article DOI: 10.1021/jm801485z BindingDB Entry DOI: 10.7270/Q2ZW1MV9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50249586 (CHEMBL504729 | N-{3-[4-[(2,6-Dimethylbenzyl)amino]...) Show SMILES Cc1cccc(C)c1CNC1(CCC(C)(C)C)C(=O)C(C(=O)c2ccccc12)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:31| Show InChI InChI=1S/C33H38N4O6S2/c1-20-10-9-11-21(2)24(20)19-34-33(17-16-32(3,4)5)25-13-8-7-12-23(25)29(38)28(30(33)39)31-35-26-15-14-22(36-44(6,40)41)18-27(26)45(42,43)37-31/h7-15,18,28,34,36H,16-17,19H2,1-6H3,(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting				J Med Chem 52: 3174-83 (2009) Article DOI: 10.1021/jm801485z BindingDB Entry DOI: 10.7270/Q2ZW1MV9
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12198 ((2S)-N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H46N6O5S2/c1-22(2)18-38(46(43,44)28-13-11-26(34)12-14-28)20-30(40)29(17-25-9-7-6-8-10-25)36-32(41)31(23(3)4)39-16-15-37(33(39)42)19-27-21-45-24(5)35-27/h6-14,21-23,29-31,40H,15-20,34H2,1-5H3,(H,36,41)/t29-,30+,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12203 ((2S)-N-[(2S,3R)-4-[(4-acetylbenzene)(2-methylpropy...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C35H47N5O6S2/c1-23(2)19-39(48(45,46)30-14-12-28(13-15-30)25(5)41)21-32(42)31(18-27-10-8-7-9-11-27)37-34(43)33(24(3)4)40-17-16-38(35(40)44)20-29-22-47-26(6)36-29/h7-15,22-24,31-33,42H,16-21H2,1-6H3,(H,37,43)/t31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12212 ((2S)-N-[(2S,3R)-3-hydroxy-4-{[3-(hydroxymethyl)ben...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CO)c1 |r| Show InChI InChI=1S/C34H47N5O6S2/c1-23(2)18-38(47(44,45)29-13-9-12-27(16-29)21-40)20-31(41)30(17-26-10-7-6-8-11-26)36-33(42)32(24(3)4)39-15-14-37(34(39)43)19-28-22-46-25(5)35-28/h6-13,16,22-24,30-32,40-41H,14-15,17-21H2,1-5H3,(H,36,42)/t30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310767 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccncc1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C34H36N6O4S2/c41-33(43-23-31-19-36-25-46-31)38-29(17-26-7-3-1-4-8-26)21-40(20-28-11-13-35-14-12-28)22-30(18-27-9-5-2-6-10-27)39-34(42)44-24-32-37-15-16-45-32/h1-16,19,25,29-30H,17-18,20-24H2,(H,38,41)(H,39,42)/t29-,30-/m0/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	49	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310765 (CHEMBL1077937 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES COc1cccc(CN(C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C[C@@H](Cc2ccccc2)NC(=O)OCc2nccs2)c1 |r| Show InChI InChI=1S/C36H39N5O5S2/c1-44-32-14-8-13-29(19-32)21-41(22-30(17-27-9-4-2-5-10-27)39-35(42)45-24-33-20-37-26-48-33)23-31(18-28-11-6-3-7-12-28)40-36(43)46-25-34-38-15-16-47-34/h2-16,19-20,26,30-31H,17-18,21-25H2,1H3,(H,39,42)(H,40,43)/t30-,31+/m0/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310761 (Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES CC(C)CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C33H41N5O4S2/c1-25(2)13-15-38(20-28(17-26-9-5-3-6-10-26)36-32(39)41-22-30-19-34-24-44-30)21-29(18-27-11-7-4-8-12-27)37-33(40)42-23-31-35-14-16-43-31/h3-12,14,16,19,24-25,28-29H,13,15,17-18,20-23H2,1-2H3,(H,36,39)(H,37,40)/t28-,29-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12208 ((2S)-N-[(2S,3R)-4-[(4-formylbenzene)(2-methylpropy...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=O)cc1 |r| Show InChI InChI=1S/C34H45N5O6S2/c1-23(2)18-38(47(44,45)29-13-11-27(21-40)12-14-29)20-31(41)30(17-26-9-7-6-8-10-26)36-33(42)32(24(3)4)39-16-15-37(34(39)43)19-28-22-46-25(5)35-28/h6-14,21-24,30-32,41H,15-20H2,1-5H3,(H,36,42)/t30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310760 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C32H37N5O4S2/c38-31(40-21-29-17-33-23-43-29)35-27(15-24-7-3-1-4-8-24)19-37(18-26-11-12-26)20-28(16-25-9-5-2-6-10-25)36-32(39)41-22-30-34-13-14-42-30/h1-10,13-14,17,23,26-28H,11-12,15-16,18-22H2,(H,35,38)(H,36,39)/t27-,28-/m0/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	52	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310764 (Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C35H37N5O4S2/c41-34(43-24-32-20-36-26-46-32)38-30(18-27-10-4-1-5-11-27)22-40(21-29-14-8-3-9-15-29)23-31(19-28-12-6-2-7-13-28)39-35(42)44-25-33-37-16-17-45-33/h1-17,20,26,30-31H,18-19,21-25H2,(H,38,41)(H,39,42)/t30-,31-/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310751 (CHEMBL1079228 | Tris-N-[2-(thiazol-5-ylmethoxycarb...) Show SMILES O=C(NC(CN(CC(Cc1ccccc1)NC(=O)OCc1cncs1)CC(Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 Show InChI InChI=1S/C42H45N7O6S3/c50-40(53-26-37-21-43-29-57-37)46-34(18-31-10-4-1-5-11-31)23-49(24-35(19-32-12-6-2-7-13-32)47-41(51)54-27-38-22-44-30-58-38)25-36(20-33-14-8-3-9-15-33)48-42(52)55-28-39-45-16-17-56-39/h1-17,21-22,29-30,34-36H,18-20,23-28H2,(H,46,50)(H,47,51)(H,48,52)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310768 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc[nH]1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C32H35N7O4S2/c40-31(42-20-29-16-34-23-45-29)37-26(13-24-7-3-1-4-8-24)17-39(19-28-15-33-22-36-28)18-27(14-25-9-5-2-6-10-25)38-32(41)43-21-30-35-11-12-44-30/h1-12,15-16,22-23,26-27H,13-14,17-21H2,(H,33,36)(H,37,40)(H,38,41)/t26-,27-/m0/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	66	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310776 (Bis-N-[2-(thiazol-5-ylmethoxycarbonylamino)-3-cycl...) Show SMILES CCN(CC(CC1CCCCC1)NC(=O)OCc1cncs1)CC(CC1CCCCC1)NC(=O)OCc1nccs1 Show InChI InChI=1S/C30H47N5O4S2/c1-2-35(18-25(15-23-9-5-3-6-10-23)33-29(36)38-20-27-17-31-22-41-27)19-26(16-24-11-7-4-8-12-24)34-30(37)39-21-28-32-13-14-40-28/h13-14,17,22-26H,2-12,15-16,18-21H2,1H3,(H,33,36)(H,34,37)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310766 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cccnc1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C34H36N6O4S2/c41-33(43-23-31-19-36-25-46-31)38-29(16-26-8-3-1-4-9-26)21-40(20-28-12-7-13-35-18-28)22-30(17-27-10-5-2-6-11-27)39-34(42)44-24-32-37-14-15-45-32/h1-15,18-19,25,29-30H,16-17,20-24H2,(H,38,41)(H,39,42)/t29-,30-/m0/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	66	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310759 (Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES CC(C)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C32H39N5O4S2/c1-24(2)18-37(19-27(15-25-9-5-3-6-10-25)35-31(38)40-21-29-17-33-23-43-29)20-28(16-26-11-7-4-8-12-26)36-32(39)41-22-30-34-13-14-42-30/h3-14,17,23-24,27-28H,15-16,18-22H2,1-2H3,(H,35,38)(H,36,39)/t27-,28-/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	67	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310769 (CHEMBL1077941 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc2ccccc2c1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C38H38N6O4S2/c45-37(47-25-34-21-39-27-50-34)42-32(18-28-9-3-1-4-10-28)23-44(22-30-17-31-13-7-8-14-35(31)41-20-30)24-33(19-29-11-5-2-6-12-29)43-38(46)48-26-36-40-15-16-49-36/h1-17,20-21,27,32-33H,18-19,22-26H2,(H,42,45)(H,43,46)/t32-,33+/m0/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	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310763 (CHEMBL1077935 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C35H37N5O4S2/c41-34(43-24-32-20-36-26-46-32)38-30(18-27-10-4-1-5-11-27)22-40(21-29-14-8-3-9-15-29)23-31(19-28-12-6-2-7-13-28)39-35(42)44-25-33-37-16-17-45-33/h1-17,20,26,30-31H,18-19,21-25H2,(H,38,41)(H,39,42)/t30-,31+/m0/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	87	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310775 (Bis-N-[2-(thiazol-5-ylmethoxycarbonylamino)-3-meth...) Show SMILES CCN(CC(CC(=O)OC)NC(=O)OCc1cncs1)CC(CC(=O)OC)NC(=O)OCc1nccs1 Show InChI InChI=1S/C22H31N5O8S2/c1-4-27(10-15(7-19(28)32-2)25-21(30)34-12-17-9-23-14-37-17)11-16(8-20(29)33-3)26-22(31)35-13-18-24-5-6-36-18/h5-6,9,14-16H,4,7-8,10-13H2,1-3H3,(H,25,30)(H,26,31)	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	88	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310758 (CHEMBL1077930 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES CC(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C32H39N5O4S2/c1-24(2)18-37(19-27(15-25-9-5-3-6-10-25)35-31(38)40-21-29-17-33-23-43-29)20-28(16-26-11-7-4-8-12-26)36-32(39)41-22-30-34-13-14-42-30/h3-14,17,23-24,27-28H,15-16,18-22H2,1-2H3,(H,35,38)(H,36,39)/t27-,28+/m0/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	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310749 (CHEMBL1079896 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES O=C(N[C@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C28H31N5O4S2/c34-27(36-18-25-17-30-20-39-25)32-23(13-21-7-3-1-4-8-21)15-29-16-24(14-22-9-5-2-6-10-22)33-28(35)37-19-26-31-11-12-38-26/h1-12,17,20,23-24,29H,13-16,18-19H2,(H,32,34)(H,33,35)/t23-,24+/m0/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	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310778 (CHEMBL1078122 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES CCN(CC(Cc1ccc(O)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(O)cc1)NC(=O)OCc1nccs1 Show InChI InChI=1S/C30H35N5O6S2/c1-2-35(16-23(13-21-3-7-25(36)8-4-21)33-29(38)40-18-27-15-31-20-43-27)17-24(14-22-5-9-26(37)10-6-22)34-30(39)41-19-28-32-11-12-42-28/h3-12,15,20,23-24,36-37H,2,13-14,16-19H2,1H3,(H,33,38)(H,34,39)	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	91	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310750 (Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES O=C(N[C@@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 |r| Show InChI InChI=1S/C28H31N5O4S2/c34-27(36-18-25-17-30-20-39-25)32-23(13-21-7-3-1-4-8-21)15-29-16-24(14-22-9-5-2-6-10-22)33-28(35)37-19-26-31-11-12-38-26/h1-12,17,20,23-24,29H,13-16,18-19H2,(H,32,34)(H,33,35)/t23-,24-/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	99	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310753 (CHEMBL1079230 | N-[(S)-2-thiazol-5-ylmethoxycarbon...) Show SMILES CC(C)(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C33H41N5O4S2/c1-33(2,3)23-38(19-27(16-25-10-6-4-7-11-25)36-31(39)41-21-29-18-34-24-44-29)20-28(17-26-12-8-5-9-13-26)37-32(40)42-22-30-35-14-15-43-30/h4-15,18,24,27-28H,16-17,19-23H2,1-3H3,(H,36,39)(H,37,40)/t27-,28+/m0/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12207 ((2S)-N-[(2S,3R)-4-[(4-ethenylbenzene)(2-methylprop...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=C)cc1 |r| Show InChI InChI=1S/C35H47N5O5S2/c1-7-27-13-15-30(16-14-27)47(44,45)39(20-24(2)3)22-32(41)31(19-28-11-9-8-10-12-28)37-34(42)33(25(4)5)40-18-17-38(35(40)43)21-29-23-46-26(6)36-29/h7-16,23-25,31-33,41H,1,17-22H2,2-6H3,(H,37,42)/t31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310757 (Bis-N-[(S)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES CC(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C32H39N5O4S2/c1-24(2)18-37(19-27(15-25-9-5-3-6-10-25)35-31(38)40-21-29-17-33-23-43-29)20-28(16-26-11-7-4-8-12-26)36-32(39)41-22-30-34-13-14-42-30/h3-14,17,23-24,27-28H,15-16,18-22H2,1-2H3,(H,35,38)(H,36,39)/t27-,28-/m0/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310752 (Bis-N-[2-(thiazol-5-ylmethoxycarbonylamino)-3-phen...) Show SMILES CC(C)(C)CN(CC(Cc1ccccc1)NC(=O)OCc1cncs1)CC(Cc1ccccc1)NC(=O)OCc1nccs1 Show InChI InChI=1S/C33H41N5O4S2/c1-33(2,3)23-38(19-27(16-25-10-6-4-7-11-25)36-31(39)41-21-29-18-34-24-44-29)20-28(17-26-12-8-5-9-13-26)37-32(40)42-22-30-35-14-15-43-30/h4-15,18,24,27-28H,16-17,19-23H2,1-3H3,(H,36,39)(H,37,40)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310755 (CHEMBL1081147 | N-[(S)-2-(thiazol-5-ylmethoxycarbo...) Show SMILES CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C30H35N5O4S2/c1-2-35(18-25(15-23-9-5-3-6-10-23)33-29(36)38-20-27-17-31-22-41-27)19-26(16-24-11-7-4-8-12-24)34-30(37)39-21-28-32-13-14-40-28/h3-14,17,22,25-26H,2,15-16,18-21H2,1H3,(H,33,36)(H,34,37)/t25-,26+/m0/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310756 (Bis-N-[(R)-2-(thiazol-5-ylmethoxycarbonylamino)-3-...) Show SMILES CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r| Show InChI InChI=1S/C30H35N5O4S2/c1-2-35(18-25(15-23-9-5-3-6-10-23)33-29(36)38-20-27-17-31-22-41-27)19-26(16-24-11-7-4-8-12-24)34-30(37)39-21-28-32-13-14-40-28/h3-14,17,22,25-26H,2,15-16,18-21H2,1H3,(H,33,36)(H,34,37)/t25-,26-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0
					More data for this Ligand-Target Pair

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