Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'sorenson' and Initial = 'm'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474902 (CHEMBL187309) Show SMILES Clc1ccc(cn1)C1CC2CCC1CN2 |THB:4:7:14.13:11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-4-2-9(7-15-12)11-5-10-3-1-8(11)6-14-10/h2,4,7-8,10-11,14H,1,3,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes				Bioorg Med Chem Lett 14: 5573-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.058 BindingDB Entry DOI: 10.7270/Q2XG9TWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105748 (4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C24H23FN6/c25-18-8-6-17(7-9-18)22-23(31(16-28-22)20-10-13-26-14-11-20)21-12-15-27-24(30-21)29-19-4-2-1-3-5-19/h1-9,12,15-16,20,26H,10-11,13-14H2,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105762 (4-[4-(4-Fluoro-phenyl)-5-(2-phenylamino-pyrimidin-...) Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(10.94,3.96,;10.65,2.44,;11.82,1.44,;11.53,-.05,;10.06,-.57,;8.9,.42,;9.19,1.94,;9.76,-2.08,;10.81,-3.2,;10.09,-4.56,;8.59,-4.27,;8.39,-2.74,;7.06,-1.94,;7.08,-.4,;5.75,.4,;4.42,-.33,;4.39,-1.89,;3.04,-2.64,;1.73,-1.85,;.38,-2.6,;-.93,-1.82,;-.91,-.26,;.43,.48,;1.76,-.31,;5.7,-2.68,;7.51,-5.38,;6.02,-5,;4.95,-6.1,;5.38,-7.57,;4.32,-8.69,;6.86,-7.94,;7.94,-6.86,)| Show InChI InChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273914 (CHEMBL4126686) Show SMILES Cc1cc(F)ccc1CNC(=O)c1nc2n(CCOC2(C)C)c(=O)c1O Show InChI InChI=1S/C18H20FN3O4/c1-10-8-12(19)5-4-11(10)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273951 (CHEMBL4126165) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCCC33CCCC3)c(=O)c2O)ccc1F Show InChI InChI=1S/C21H24FN3O3/c1-13-11-14(5-6-15(13)22)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273915 (CHEMBL4127891) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)c(Cl)c1)c(O)c2=O Show InChI InChI=1S/C17H17ClFN3O4/c1-17(2)16-21-12(13(23)15(25)22(16)5-6-26-17)14(24)20-8-9-3-4-11(19)10(18)7-9/h3-4,7,23H,5-6,8H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273913 (CHEMBL4127663) Show SMILES Cc1cc(CNC(=O)c2nc3n(CCOC3(C)C)c(=O)c2O)ccc1F Show InChI InChI=1S/C18H20FN3O4/c1-10-8-11(4-5-12(10)19)9-20-15(24)13-14(23)16(25)22-6-7-26-18(2,3)17(22)21-13/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273916 (CHEMBL4126289) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C17H18FN3O4/c1-17(2)16-20-12(13(22)15(24)21(16)7-8-25-17)14(23)19-9-10-3-5-11(18)6-4-10/h3-6,22H,7-9H2,1-2H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273903 (CHEMBL4129717) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H22FN3O3/c21-14-6-4-13(5-7-14)12-22-17(26)15-16(25)18(27)24-11-3-10-20(19(24)23-15)8-1-2-9-20/h4-7,25H,1-3,8-12H2,(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105746 (CHEMBL318892 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...) Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042005 (CHEMBL3360113) Show SMILES CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C18H20FN3O4S/c1-22-16(12-8-26-9-13(12)27-2)21-14(15(23)18(22)25)17(24)20-7-10-3-5-11(19)6-4-10/h3-6,12-13,23H,7-9H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042022 (CHEMBL3360128) Show SMILES COCCN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273950 (CHEMBL4128240) Show SMILES CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C21H24FN3O5S/c1-31(29,30)15-11-14(22)6-5-13(15)12-23-18(27)16-17(26)19(28)25-10-4-9-21(20(25)24-16)7-2-3-8-21/h5-6,11,26H,2-4,7-10,12H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042007 (CHEMBL3360111) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C17H18FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-5,11,22H,6-9H2,1H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042014 (CHEMBL3360121) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C19H19FN6O4/c1-25-17(12-4-5-30-8-12)24-15(16(27)19(25)29)18(28)22-7-11-2-3-13(20)6-14(11)26-10-21-9-23-26/h2-3,6,9-10,12,27H,4-5,7-8H2,1H3,(H,22,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273965 (CHEMBL4127923) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOCC1)c(O)c2=O Show InChI InChI=1S/C21H25FN4O5/c1-21(2)20-24-16(17(27)19(29)26(20)7-10-31-21)18(28)23-12-13-3-4-14(22)11-15(13)25-5-8-30-9-6-25/h3-4,11,27H,5-10,12H2,1-2H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273948 (CHEMBL4127873) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1N1CCCCS1(=O)=O Show InChI InChI=1S/C24H29FN4O5S/c25-17-7-6-16(18(14-17)29-12-3-4-13-35(29,33)34)15-26-21(31)19-20(30)22(32)28-11-5-10-24(23(28)27-19)8-1-2-9-24/h6-7,14,30H,1-5,8-13,15H2,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50105742 (4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...) Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)| Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of JNK2beta2 kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042003 (CHEMBL3360115) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCS1 Show InChI InChI=1S/C18H20FN3O3S/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042004 (CHEMBL3360114) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCO1 Show InChI InChI=1S/C18H20FN3O4/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042032 (CHEMBL3360116) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C18H20FN3O4/c1-22-16(12-6-8-26-9-7-12)21-14(15(23)18(22)25)17(24)20-10-11-2-4-13(19)5-3-11/h2-5,12,23H,6-10H2,1H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273963 (CHEMBL4128890) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1S(C)(=O)=O)c(O)c2=O Show InChI InChI=1S/C18H20FN3O6S/c1-18(2)17-21-13(14(23)16(25)22(17)6-7-28-18)15(24)20-9-10-4-5-11(19)8-12(10)29(3,26)27/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273902 (CHEMBL4126659) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042006 (CHEMBL3360112) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCC1O Show InChI InChI=1S/C17H18FN3O5/c1-21-15(11-7-26-8-12(11)22)20-13(14(23)17(21)25)16(24)19-6-9-2-4-10(18)5-3-9/h2-5,11-12,22-23H,6-8H2,1H3,(H,19,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042017 (CHEMBL3360124) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-26-17(12-5-6-31-9-12)25-15(16(28)20(26)30)19(29)22-8-11-3-4-13(21)7-14(11)18-23-10-24-27(18)2/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042021 (CHEMBL3360127) Show SMILES CN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042026 (CHEMBL3360132) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C20H21FN6O4/c1-26-18(12-4-6-31-7-5-12)25-16(17(28)20(26)30)19(29)23-9-13-2-3-14(21)8-15(13)27-11-22-10-24-27/h2-3,8,10-12,28H,4-7,9H2,1H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042031 (CHEMBL3360137) Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O Show InChI InChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042023 (CHEMBL3360129) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C19H22FN3O6S/c1-23-17(11-5-7-29-8-6-11)22-15(16(24)19(23)26)18(25)21-10-12-3-4-13(20)9-14(12)30(2,27)28/h3-4,9,11,24H,5-8,10H2,1-2H3,(H,21,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042027 (CHEMBL3360133) Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-12-24-11-25-28(12)16-9-15(22)4-3-14(16)10-23-20(30)17-18(29)21(31)27(2)19(26-17)13-5-7-32-8-6-13/h3-4,9,11,13,29H,5-8,10H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105743 (4-[3-(1-Benzyl-piperidin-4-yl)-5-(4-fluoro-phenyl)...) Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273952 (CHEMBL4130102) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCCCS1(=O)=O)c(O)c2=O Show InChI InChI=1S/C21H25FN4O6S/c1-21(2)20-24-16(17(27)19(29)25(20)8-9-32-21)18(28)23-12-13-5-6-14(22)11-15(13)26-7-3-4-10-33(26,30)31/h5-6,11,27H,3-4,7-10,12H2,1-2H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042011 (CHEMBL3360118) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C18H20FN3O6S/c1-22-16(11-5-6-28-9-11)21-14(15(23)18(22)25)17(24)20-8-10-3-4-12(19)7-13(10)29(2,26)27/h3-4,7,11,23H,5-6,8-9H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042013 (CHEMBL3360120) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C21H25FN4O6S/c1-25-19(14-6-8-32-12-14)24-17(18(27)21(25)29)20(28)23-11-13-4-5-15(22)10-16(13)26-7-2-3-9-33(26,30)31/h4-5,10,14,27H,2-3,6-9,11-12H2,1H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042029 (CHEMBL3360135) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-27-18(12-5-7-32-8-6-12)26-16(17(29)21(27)31)20(30)23-10-13-3-4-14(22)9-15(13)19-24-11-25-28(19)2/h3-4,9,11-12,29H,5-8,10H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105763 (CHEMBL420081 | D3RKN_10 | Ethyl-{4-[5-(4-fluoro-ph...) Show SMILES CCNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273953 (CHEMBL4126840) Show SMILES CN(C)S(=O)(=O)c1c(CNC(=O)c2nc3n(CCOC3(C)C)c(=O)c2O)ccc(F)c1F Show InChI InChI=1S/C19H22F2N4O6S/c1-19(2)18-23-13(14(26)17(28)25(18)7-8-31-19)16(27)22-9-10-5-6-11(20)12(21)15(10)32(29,30)24(3)4/h5-6,26H,7-9H2,1-4H3,(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273904 (CHEMBL4128715) Show SMILES CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1Cl)c(O)c2=O Show InChI InChI=1S/C17H17ClFN3O4/c1-17(2)16-21-12(13(23)15(25)22(16)5-6-26-17)14(24)20-8-9-3-4-10(19)7-11(9)18/h3-4,7,23H,5-6,8H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of EGFR kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of p56 Lck kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042010 (CHEMBL3360117) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCCCO1 Show InChI InChI=1S/C18H20FN3O4/c1-22-16(13-4-2-3-9-26-13)21-14(15(23)18(22)25)17(24)20-10-11-5-7-12(19)8-6-11/h5-8,13,23H,2-4,9-10H2,1H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042012 (CHEMBL3360119) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C19H23FN4O6S/c1-23(2)31(28,29)14-8-13(20)5-4-11(14)9-21-18(26)15-16(25)19(27)24(3)17(22-15)12-6-7-30-10-12/h4-5,8,12,25H,6-7,9-10H2,1-3H3,(H,21,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042016 (CHEMBL3360123) Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-11-8-23-25-27(11)15-7-14(21)4-3-12(15)9-22-19(29)16-17(28)20(30)26(2)18(24-16)13-5-6-31-10-13/h3-4,7-8,13,28H,5-6,9-10H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042020 (CHEMBL3360126) Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)S1(=O)=O Show InChI InChI=1S/C22H28FN5O6S/c1-22(2)12-28(35(32,33)27(22)4)16-9-15(23)6-5-13(16)10-24-20(30)17-18(29)21(31)26(3)19(25-17)14-7-8-34-11-14/h5-6,9,14,29H,7-8,10-12H2,1-4H3,(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273964 (CHEMBL4130252) Show SMILES CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCOC2(C)C)c(=O)c1O Show InChI InChI=1S/C19H21FN4O5/c1-19(2)18-23-13(14(25)17(28)24(18)6-7-29-19)16(27)22-9-10-4-5-11(20)8-12(10)15(26)21-3/h4-5,8,25H,6-7,9H2,1-3H3,(H,21,26)(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273949 (CHEMBL4128924) Show SMILES Oc1c(nc2n(CCCC22CCCC2)c1=O)C(=O)NCc1ccc(F)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H29FN4O6S/c25-17-5-4-16(18(14-17)36(33,34)28-10-12-35-13-11-28)15-26-21(31)19-20(30)22(32)29-9-3-8-24(23(29)27-19)6-1-2-7-24/h4-5,14,30H,1-3,6-13,15H2,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042025 (CHEMBL3360131) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C22H27FN4O6S/c1-26-20(14-6-9-33-10-7-14)25-18(19(28)22(26)30)21(29)24-13-15-4-5-16(23)12-17(15)27-8-2-3-11-34(27,31)32/h4-5,12,14,28H,2-3,6-11,13H2,1H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105751 (4-[4-(4-Fluoro-phenyl)-5-(2-phenoxy-pyrimidin-4-yl...) Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Oc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(11.06,4.43,;10.77,2.91,;11.93,1.91,;11.64,.4,;10.17,-.1,;9.02,.89,;9.31,2.4,;9.88,-1.62,;10.93,-2.74,;10.21,-4.09,;8.7,-3.8,;8.5,-2.27,;7.17,-1.48,;7.2,.06,;5.87,.86,;4.53,.13,;4.5,-1.42,;3.16,-2.18,;1.83,-1.38,;.5,-2.15,;-.82,-1.36,;-.81,.18,;.54,.93,;1.87,.16,;5.82,-2.22,;7.63,-4.91,;6.14,-4.53,;5.06,-5.63,;5.49,-7.1,;4.43,-8.22,;6.98,-7.48,;8.06,-6.39,)| Show InChI InChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042015 (CHEMBL3360122) Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-11-23-10-24-27(11)15-7-14(21)4-3-12(15)8-22-19(29)16-17(28)20(30)26(2)18(25-16)13-5-6-31-9-13/h3-4,7,10,13,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042024 (CHEMBL3360130) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H25FN4O6S/c1-24(2)32(29,30)15-10-14(21)5-4-13(15)11-22-19(27)16-17(26)20(28)25(3)18(23-16)12-6-8-31-9-7-12/h4-5,10,12,26H,6-9,11H2,1-3H3,(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair

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