Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'mcloughlin' and Initial = 'd'   

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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101929 (3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50219021 (CHEMBL1203459) Show SMILES Cl.CN(C)c1ccc2cc(ccc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C41H52N6O6S.ClH/c1-41(2,3)44-40(51)35-26-47(54(52,53)32-16-17-34-29(23-32)15-18-37(42-34)45(4)5)20-19-46(35)25-31(48)22-30(21-27-11-7-6-8-12-27)39(50)43-38-33-14-10-9-13-28(33)24-36(38)49;/h6-18,23,30-31,35-36,38,48-49H,19-22,24-26H2,1-5H3,(H,43,50)(H,44,51);1H/t30-,31+,35+,36-,38+;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50219020 (CHEMBL421786) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ncc(s2)-c2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C40H49N5O4S/c1-40(2,3)43-39(49)33-25-44(26-36-41-23-35(50-36)28-14-8-5-9-15-28)18-19-45(33)24-31(46)21-30(20-27-12-6-4-7-13-27)38(48)42-37-32-17-11-10-16-29(32)22-34(37)47/h4-17,23,30-31,33-34,37,46-47H,18-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t30-,31+,33+,34-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50219019 (CHEMBL422323) Show SMILES Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F Show InChI InChI=1S/C40H49F3N6O4S/c1-39(2,3)45-38(53)32-24-48(23-29-14-15-34(54-29)31-21-35(40(41,42)43)46-47(31)4)16-17-49(32)22-28(50)19-27(18-25-10-6-5-7-11-25)37(52)44-36-30-13-9-8-12-26(30)20-33(36)51/h5-15,21,27-28,32-33,36,50-51H,16-20,22-24H2,1-4H3,(H,44,52)(H,45,53)/t27-,28+,32+,33-,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109710 ((S)-4-(2-Dimethylamino-quinoline-7-sulfonyl)-1-[(2...) Show SMILES CN(C)c1ccc2ccc(cc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C41H52N6O6S/c1-41(2,3)44-40(51)35-26-47(54(52,53)32-17-15-28-16-18-37(45(4)5)42-34(28)24-32)20-19-46(35)25-31(48)22-30(21-27-11-7-6-8-12-27)39(50)43-38-33-14-10-9-13-29(33)23-36(38)49/h6-18,24,30-31,35-36,38,48-49H,19-23,25-26H2,1-5H3,(H,43,50)(H,44,51)/t30-,31+,35+,36-,38?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101925 (16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...) Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23 Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109714 ((S)-4-Benzofuran-2-ylmethyl-1-[(2S,4R)-2-hydroxy-4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109714 ((S)-4-Benzofuran-2-ylmethyl-1-[(2S,4R)-2-hydroxy-4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme				Bioorg Med Chem Lett 10: 1527-30 (2000) BindingDB Entry DOI: 10.7270/Q2542MTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50219021 (CHEMBL1203459) Show SMILES Cl.CN(C)c1ccc2cc(ccc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C41H52N6O6S.ClH/c1-41(2,3)44-40(51)35-26-47(54(52,53)32-16-17-34-29(23-32)15-18-37(42-34)45(4)5)20-19-46(35)25-31(48)22-30(21-27-11-7-6-8-12-27)39(50)43-38-33-14-10-9-13-28(33)24-36(38)49;/h6-18,23,30-31,35-36,38,48-49H,19-22,24-26H2,1-5H3,(H,43,50)(H,44,51);1H/t30-,31+,35+,36-,38+;/m1./s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109706 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F Show InChI InChI=1S/C40H49F3N6O4S/c1-39(2,3)45-38(53)32-24-48(23-29-14-15-34(54-29)31-21-35(40(41,42)43)46-47(31)4)16-17-49(32)22-28(50)19-27(18-25-10-6-5-7-11-25)37(52)44-36-30-13-9-8-12-26(30)20-33(36)51/h5-15,21,27-28,32-33,36,50-51H,16-20,22-24H2,1-4H3,(H,44,52)(H,45,53)/t27-,28+,32+,33-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109706 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F Show InChI InChI=1S/C40H49F3N6O4S/c1-39(2,3)45-38(53)32-24-48(23-29-14-15-34(54-29)31-21-35(40(41,42)43)46-47(31)4)16-17-49(32)22-28(50)19-27(18-25-10-6-5-7-11-25)37(52)44-36-30-13-9-8-12-26(30)20-33(36)51/h5-15,21,27-28,32-33,36,50-51H,16-20,22-24H2,1-4H3,(H,44,52)(H,45,53)/t27-,28+,32+,33-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50219020 (CHEMBL421786) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ncc(s2)-c2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C40H49N5O4S/c1-40(2,3)43-39(49)33-25-44(26-36-41-23-35(50-36)28-14-8-5-9-15-28)18-19-45(33)24-31(46)21-30(20-27-12-6-4-7-13-27)38(48)42-37-32-17-11-10-16-29(32)22-34(37)47/h4-17,23,30-31,33-34,37,46-47H,18-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t30-,31+,33+,34-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50219019 (CHEMBL422323) Show SMILES Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F Show InChI InChI=1S/C40H49F3N6O4S/c1-39(2,3)45-38(53)32-24-48(23-29-14-15-34(54-29)31-21-35(40(41,42)43)46-47(31)4)16-17-49(32)22-28(50)19-27(18-25-10-6-5-7-11-25)37(52)44-36-30-13-9-8-12-26(30)20-33(36)51/h5-15,21,27-28,32-33,36,50-51H,16-20,22-24H2,1-4H3,(H,44,52)(H,45,53)/t27-,28+,32+,33-,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109705 ((S)-4-(5-Fluoro-benzofuran-2-ylmethyl)-1-[(2S,4R)-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H47FN4O5/c1-39(2,3)42-38(48)33-24-43(23-31-20-27-18-29(40)13-14-35(27)49-31)15-16-44(33)22-30(45)19-28(17-25-9-5-4-6-10-25)37(47)41-36-32-12-8-7-11-26(32)21-34(36)46/h4-14,18,20,28,30,33-34,36,45-46H,15-17,19,21-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,30+,33+,34-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50090147 ((S)-4-(3,4-Dichloro-benzyl)-1-[(2S,4R)-2-hydroxy-4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H46Cl2N4O4/c1-37(2,3)41-36(47)32-23-42(21-25-13-14-30(38)31(39)18-25)15-16-43(32)22-28(44)19-27(17-24-9-5-4-6-10-24)35(46)40-34-29-12-8-7-11-26(29)20-33(34)45/h4-14,18,27-28,32-34,44-45H,15-17,19-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,32+,33-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme				Bioorg Med Chem Lett 10: 1527-30 (2000) BindingDB Entry DOI: 10.7270/Q2542MTH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101923 (16-ethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazapen...) Show SMILES CC[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c1-2-23-26(32)30-24-5-3-4-18-8-9-21(11-22(18)24)33-25-10-17(6-7-19(25)12-27)15-31-16-28-13-20(31)14-29-23/h3-11,13,16,23,29H,2,14-15H2,1H3,(H,30,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109708 ((S)-4-Benzooxazol-2-ylmethyl-1-[(2S,4R)-2-hydroxy-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)31-23-42(24-34-39-30-15-9-10-16-33(30)48-34)17-18-43(31)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)40-35-29-14-8-7-13-26(29)21-32(35)45/h4-16,27-28,31-32,35,44-45H,17-24H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,31+,32-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109708 ((S)-4-Benzooxazol-2-ylmethyl-1-[(2S,4R)-2-hydroxy-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)31-23-42(24-34-39-30-15-9-10-16-33(30)48-34)17-18-43(31)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)40-35-29-14-8-7-13-26(29)21-32(35)45/h4-16,27-28,31-32,35,44-45H,17-24H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,31+,32-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109709 ((S)-4-Benzo[d]isoxazol-3-ylmethyl-1-[(2S,4R)-2-hyd...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc23)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)40-37(47)32-24-42(23-31-30-15-9-10-16-34(30)48-41-31)17-18-43(32)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)39-35-29-14-8-7-13-26(29)21-33(35)45/h4-16,27-28,32-33,35,44-45H,17-24H2,1-3H3,(H,39,46)(H,40,47)/t27-,28+,32+,33-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101911 (16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...) Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50090146 ((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(C)(=O)=O Show InChI InChI=1S/C31H44N4O6S/c1-31(2,3)33-30(39)26-20-35(42(4,40)41)15-14-34(26)19-24(36)17-23(16-21-10-6-5-7-11-21)29(38)32-28-25-13-9-8-12-22(25)18-27(28)37/h5-13,23-24,26-28,36-37H,14-20H2,1-4H3,(H,32,38)(H,33,39)/t23-,24+,26+,27-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme				Bioorg Med Chem Lett 10: 1527-30 (2000) BindingDB Entry DOI: 10.7270/Q2542MTH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101916 (17-oxo-16-(3-pyridylmethyl)-(16R)-2-oxa-9,11,15,18...) Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccnc1)ccc4C#N)cc23 Show InChI InChI=1S/C30H24N6O2/c31-14-23-7-6-21-12-29(23)38-25-9-8-22-4-1-5-27(26(22)13-25)35-30(37)28(11-20-3-2-10-32-15-20)34-17-24-16-33-19-36(24)18-21/h1-10,12-13,15-16,19,28,34H,11,17-18H2,(H,35,37)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5284 (4-{[4-(Methylsulfonyl)piperazin-1-yl]methyl}-N-(5-...) Show SMILES CS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)-c3ccccc3)c2)CC1 Show InChI InChI=1S/C20H23N5O2S2/c1-29(26,27)25-11-9-24(10-12-25)15-16-7-8-21-19(13-16)23-20-22-14-18(28-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				J Med Chem 47: 6363-72 (2004) Article DOI: 10.1021/jm049697f BindingDB Entry DOI: 10.7270/Q2PG1PXD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109712 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ncc(s2)-c2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C40H49N5O4S/c1-40(2,3)43-39(49)33-25-44(26-36-41-23-35(50-36)28-14-8-5-9-15-28)18-19-45(33)24-31(46)21-30(20-27-12-6-4-7-13-27)38(48)42-37-32-17-11-10-16-29(32)22-34(37)47/h4-17,23,30-31,33-34,37,46-47H,18-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t30-,31+,33+,34-,37?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109712 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ncc(s2)-c2ccccc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C40H49N5O4S/c1-40(2,3)43-39(49)33-25-44(26-36-41-23-35(50-36)28-14-8-5-9-15-28)18-19-45(33)24-31(46)21-30(20-27-12-6-4-7-13-27)38(48)42-37-32-17-11-10-16-29(32)22-34(37)47/h4-17,23,30-31,33-34,37,46-47H,18-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t30-,31+,33+,34-,37?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101918 (17-oxo-16-(2-thienylmethyl)-(16R)-2-oxa-9,11,15,18...) Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccs1)ccc4C#N)cc23 Show InChI InChI=1S/C29H23N5O2S/c30-14-21-7-6-19-11-28(21)36-23-9-8-20-3-1-5-26(25(20)12-23)33-29(35)27(13-24-4-2-10-37-24)32-16-22-15-31-18-34(22)17-19/h1-12,15,18,27,32H,13,16-17H2,(H,33,35)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109698 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1cc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)ccc1=O Show InChI InChI=1S/C37H49N5O5/c1-37(2,3)39-36(47)31-24-41(22-26-14-15-33(45)40(4)21-26)16-17-42(31)23-29(43)19-28(18-25-10-6-5-7-11-25)35(46)38-34-30-13-9-8-12-27(30)20-32(34)44/h5-15,21,28-29,31-32,34,43-44H,16-20,22-24H2,1-4H3,(H,38,46)(H,39,47)/t28-,29+,31+,32-,34?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109710 ((S)-4-(2-Dimethylamino-quinoline-7-sulfonyl)-1-[(2...) Show SMILES CN(C)c1ccc2ccc(cc2n1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C41H52N6O6S/c1-41(2,3)44-40(51)35-26-47(54(52,53)32-17-15-28-16-18-37(45(4)5)42-34(28)24-32)20-19-46(35)25-31(48)22-30(21-27-11-7-6-8-12-27)39(50)43-38-33-14-10-9-13-29(33)23-36(38)49/h6-18,24,30-31,35-36,38,48-49H,19-23,25-26H2,1-5H3,(H,43,50)(H,44,51)/t30-,31+,35+,36-,38?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101917 (20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....) Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101910 (15,20-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[19...) Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(C(=O)NCCN1)c4c3)c2 Show InChI InChI=1S/C26H21N5O3/c27-13-19-5-4-17-10-24(19)34-21-7-6-18-2-1-3-22(23(18)12-21)26(33)30-9-8-29-25(32)11-20-14-28-16-31(20)15-17/h1-7,10,12,14,16H,8-9,11,15H2,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101924 (15-benzyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...) Show SMILES O=C1CN(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2 Show InChI InChI=1S/C31H25N5O2/c32-15-25-10-9-23-13-30(25)38-27-12-11-24-7-4-8-29(28(24)14-27)34-31(37)20-35(17-22-5-2-1-3-6-22)19-26-16-33-21-36(26)18-23/h1-14,16,21H,17-20H2,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101922 (16-benzyl-15-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...) Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@H]1Cc1ccccc1)c4c3)c2 Show InChI InChI=1S/C32H27N5O2/c1-36-20-26-18-34-21-37(26)19-23-10-11-25(17-33)31(15-23)39-27-13-12-24-8-5-9-29(28(24)16-27)35-32(38)30(36)14-22-6-3-2-4-7-22/h2-13,15-16,18,21,30H,14,19-20H2,1H3,(H,35,38)/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5282 ((5-Phenylthiazol-2-yl)(4-pyrrolidin-1-ylmethylpyri...) Show SMILES C(N1CCCC1)c1ccnc(Nc2ncc(s2)-c2ccccc2)c1 Show InChI InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-12-15(8-9-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				J Med Chem 47: 6363-72 (2004) Article DOI: 10.1021/jm049697f BindingDB Entry DOI: 10.7270/Q2PG1PXD
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101915 (17-methyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...) Show SMILES C[C@H]1NC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C26H21N5O3/c1-16-26(33)30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)14-31-15-28-13-20(31)10-25(32)29-16/h2-9,11,13,15-16H,10,14H2,1H3,(H,29,32)(H,30,33)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14009 ((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...) Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r| Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101928 (17-benzyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...) Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@@H](Cc5ccccc5)N1)c4c3)c2 Show InChI InChI=1S/C32H25N5O3/c33-17-24-10-9-22-14-30(24)40-26-12-11-23-7-4-8-28(27(23)16-26)36-32(39)29(13-21-5-2-1-3-6-21)35-31(38)15-25-18-34-20-37(25)19-22/h1-12,14,16,18,20,29H,13,15,19H2,(H,35,38)(H,36,39)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101908 (15,18-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[18...) Show SMILES O=C1CNC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2 Show InChI InChI=1S/C25H19N5O3/c26-11-18-5-4-16-8-23(18)33-20-7-6-17-2-1-3-22(21(17)10-20)29-25(32)13-28-24(31)9-19-12-27-15-30(19)14-16/h1-8,10,12,15H,9,13-14H2,(H,28,31)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101926 (17-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[17.6.2....) Show SMILES O=C1CNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2 Show InChI InChI=1S/C24H19N5O2/c25-10-18-5-4-16-8-23(18)31-20-7-6-17-2-1-3-22(21(17)9-20)28-24(30)13-26-11-19-12-27-15-29(19)14-16/h1-9,12,15,26H,11,13-14H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101912 (19-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[18.6.2....) Show SMILES O=C1NCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2 Show InChI InChI=1S/C25H21N5O2/c26-12-19-5-4-17-10-24(19)32-21-7-6-18-2-1-3-22(23(18)11-21)25(31)29-9-8-27-13-20-14-28-16-30(20)15-17/h1-7,10-11,14,16,27H,8-9,13,15H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101914 (15-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...) Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)C1)c4c3)c2 Show InChI InChI=1S/C25H21N5O2/c1-29-14-20-12-27-16-30(20)13-17-5-6-19(11-26)24(9-17)32-21-8-7-18-3-2-4-23(22(18)10-21)28-25(31)15-29/h2-10,12,16H,13-15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5281 (5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]...) Show SMILES C(N1CCCC1)c1ccc(Nc2ncc(s2)-c2ccccc2)nc1 Show InChI InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-9-8-15(12-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				J Med Chem 47: 6363-72 (2004) Article DOI: 10.1021/jm049697f BindingDB Entry DOI: 10.7270/Q2PG1PXD
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101921 (19-methyl-15,18-dioxo-2-oxa-9,11,16,19-tetraazapen...) Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CC(=O)NCC1=O)ccc4C#N)cc23 Show InChI InChI=1S/C26H21N5O3/c1-30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)15-31-16-28-13-20(31)10-25(32)29-14-26(30)33/h2-9,11,13,16H,10,14-15H2,1H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109711 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1cc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)c2ccccc12 Show InChI InChI=1S/C40H51N5O4/c1-40(2,3)42-39(49)35-26-44(24-30-23-43(4)34-17-11-10-15-32(30)34)18-19-45(35)25-31(46)21-29(20-27-12-6-5-7-13-27)38(48)41-37-33-16-9-8-14-28(33)22-36(37)47/h5-17,23,29,31,35-37,46-47H,18-22,24-26H2,1-4H3,(H,41,48)(H,42,49)/t29-,31+,35+,36-,37?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109699 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES CC1=CSC2C(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)N=CN12 |c:49,t:1| Show InChI InChI=1S/C37H50N6O4S/c1-24-22-48-36-30(38-23-43(24)36)20-41-14-15-42(31(21-41)35(47)40-37(2,3)4)19-28(44)17-27(16-25-10-6-5-7-11-25)34(46)39-33-29-13-9-8-12-26(29)18-32(33)45/h5-13,22-23,27-28,30-33,36,44-45H,14-21H2,1-4H3,(H,39,46)(H,40,47)/t27-,28+,30?,31+,32-,33?,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101931 (15,16-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...) Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)29-24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)14-31-16-28-13-21(31)15-30(17)2/h3-11,13,16-17H,14-15H2,1-2H3,(H,29,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5292 (2-({4-[(4-methanesulfonylpiperidin-1-yl)methyl]pyr...) Show SMILES CS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1 Show InChI InChI=1S/C16H19N5O2S2/c1-25(22,23)14-3-6-21(7-4-14)11-12-2-5-18-15(8-12)20-16-19-10-13(9-17)24-16/h2,5,8,10,14H,3-4,6-7,11H2,1H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				J Med Chem 47: 6363-72 (2004) Article DOI: 10.1021/jm049697f BindingDB Entry DOI: 10.7270/Q2PG1PXD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5280 (5-phenyl-N-(pyridin-2-yl)-1,3-thiazol-2-amine | N-...) Show SMILES N(c1ncc(s1)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)12-10-16-14(18-12)17-13-8-4-5-9-15-13/h1-10H,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				J Med Chem 47: 6363-72 (2004) Article DOI: 10.1021/jm049697f BindingDB Entry DOI: 10.7270/Q2PG1PXD
					More data for this Ligand-Target Pair

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