Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'gahman' and Initial = 'tc'   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356505 (CHEMBL1911882) Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C17H20N6O2S/c1-22(17-20-16(21-26-17)23-8-6-19-11-23)7-2-5-18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,6,8-9,11,18H,2,5,7,10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356504 (CHEMBL1911883) Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C20H24N6O2/c1-15-10-19(24-20(23-15)26-9-7-22-13-26)25(2)8-3-6-21-12-16-4-5-17-18(11-16)28-14-27-17/h4-5,7,9-11,13,21H,3,6,8,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24170 (3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24152 (3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24165 (N-[3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1...) Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)c1cccs1 Show InChI InChI=1S/C19H22N2O2S2/c22-17(15-9-6-12-24-15)20-18-16(13-7-2-3-8-14(13)25-18)19(23)21-10-4-1-5-11-21/h6,9,12H,1-5,7-8,10-11H2,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24174 (3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12 Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24179 (N-[3-(diethylcarbamoyl)-4H,5H,7H-thieno[2,3-c]thio...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CSCCc12 Show InChI InChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24173 (N-[3-(diethylcarbamoyl)-5-methyl-4H,5H,6H-cyclopen...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)Cc12 Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-12-9-11(3)10-14(12)24-17(15)19-16(21)13-7-6-8-23-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24164 (N-[3-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-...) Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCCC1)c1cccs1 Show InChI InChI=1S/C18H20N2O2S2/c21-16(14-8-5-11-23-14)19-17-15(18(22)20-9-3-4-10-20)12-6-1-2-7-13(12)24-17/h5,8,11H,1-4,6-7,9-10H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24153 (N-[3-(diethylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCCc12 Show InChI InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24166 (N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1...) Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCOCC1)c1cccs1 Show InChI InChI=1S/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24171 (3-N,3-N-diethyl-6-methyl-2-N-(thiophene-2-)-4,5,6,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)CCc12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-9-8-12(3)11-15(13)25-18(16)20-17(22)14-7-6-10-24-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24163 (3-N,3-N-dimethyl-2-N-(thiophene-2-)-4,5,6,7-tetrah...) Show SMILES CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24176 (3-N,3-N,5-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...) Show SMILES CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1 Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-15-14(12-13)17(20(24)22(5-2)6-3)19(26-15)21-18(23)16-8-7-11-25-16/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24169 (3-N,3-N-diethyl-4-methyl-2-N-(thiophene-2-)-4,5,6,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCC(C)c12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-15-12(3)8-6-9-13(15)25-18(16)20-17(22)14-10-7-11-24-14/h7,10-12H,4-6,8-9H2,1-3H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24172 (N-[3-(diethylcarbamoyl)-4-methyl-4H,5H,6H-cyclopen...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)c12 Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-14-11(3)8-9-12(14)24-17(15)19-16(21)13-7-6-10-23-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24168 (3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-N-(thiop...) Show SMILES CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C19H25N3O2S2/c1-21(2)10-11-22(3)19(24)16-13-7-4-5-8-14(13)26-18(16)20-17(23)15-9-6-12-25-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24151 (N-[3-(diethylcarbamoyl)-4H,5H,6H-cyclopenta[b]thio...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCc12 Show InChI InChI=1S/C17H20N2O2S2/c1-3-19(4-2)17(21)14-11-7-5-8-12(11)23-16(14)18-15(20)13-9-6-10-22-13/h6,9-10H,3-5,7-8H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24175 (3-N,3-N-diethyl-6,6-dimethyl-2-N-(thiophene-2-)-4,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)(C)CCc12 Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-9-10-20(3,4)12-15(13)26-18(16)21-17(23)14-8-7-11-25-14/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24154 (3-N,3-N-diethyl-2-N-(thiophene-3-)-4,5,6,7-tetrahy...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2CCCCc12 Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-13-7-5-6-8-14(13)24-17(15)19-16(21)12-9-10-23-11-12/h9-11H,3-8H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24156 (N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzo...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2scnc2C)sc2CCCCc12 Show InChI InChI=1S/C18H23N3O2S2/c1-4-21(5-2)18(23)14-12-8-6-7-9-13(12)25-17(14)20-16(22)15-11(3)19-10-24-15/h10H,4-9H2,1-3H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24159 (N,N-diethyl-2-[2-(thiophen-2-yl)acetamido]-4,5,6,7...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12 Show InChI InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)17-14-9-5-6-10-15(14)25-18(17)20-16(22)12-13-8-7-11-24-13/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24150 (3-N,3-N-diethyl-4,5-dimethyl-2-N-(thiophene-2-)thi...) Show SMILES CCN(CC)C(=O)c1c(C)c(C)sc1NC(=O)c1cccs1 Show InChI InChI=1S/C16H20N2O2S2/c1-5-18(6-2)16(20)13-10(3)11(4)22-15(13)17-14(19)12-8-7-9-21-12/h7-9H,5-6H2,1-4H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24157 (N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzo...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2CCCCc12 Show InChI InChI=1S/C18H22N2O3S/c1-3-20(4-2)18(22)15-12-8-5-6-10-14(12)24-17(15)19-16(21)13-9-7-11-23-13/h7,9,11H,3-6,8,10H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24178 (3-N,3-N-diethyl-2-N-(thiophene-2-)-4H,5H,7H-thieno...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2COCCc12 Show InChI InChI=1S/C17H20N2O3S2/c1-3-19(4-2)17(21)14-11-7-8-22-10-13(11)24-16(14)18-15(20)12-6-5-9-23-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24167 (3-N-[2-(dimethylamino)ethyl]-2-N-(thiophene-2-)-4,...) Show SMILES CN(C)CCNC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C18H23N3O2S2/c1-21(2)10-9-19-17(23)15-12-6-3-4-7-13(12)25-18(15)20-16(22)14-8-5-11-24-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,19,23)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24158 (2-N-benzene-3-N,3-N-diethyl-4,5,6,7-tetrahydro-1-b...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12 Show InChI InChI=1S/C20H24N2O2S/c1-3-22(4-2)20(24)17-15-12-8-9-13-16(15)25-19(17)21-18(23)14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24177 (3-N,3-N,6-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...) Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N(CC)CC Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-14-16(12-13)26-19(17(14)20(24)22(5-2)6-3)21-18(23)15-8-7-11-25-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24155 (N-[3-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzo...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cncs2)sc2CCCCc12 Show InChI InChI=1S/C17H21N3O2S2/c1-3-20(4-2)17(22)14-11-7-5-6-8-12(11)24-16(14)19-15(21)13-9-18-10-23-13/h9-10H,3-8H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356507 (CHEMBL1911885) Show SMILES CN(CCCNCc1ccccc1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C16H20N6S/c1-21(10-5-8-17-12-14-6-3-2-4-7-14)16-19-15(20-23-16)22-11-9-18-13-22/h2-4,6-7,9,11,13,17H,5,8,10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24181 (3-N,3-N-diethyl-2-N-(thiophene-2-)-1-benzothiophen...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2ccccc12 Show InChI InChI=1S/C18H18N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h5-11H,3-4H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24149 (3-N,3-N-diethyl-2-N-(thiophene-2-)thiophene-2,3-di...) Show SMILES CCN(CC)C(=O)c1ccsc1NC(=O)c1cccs1 Show InChI InChI=1S/C14H16N2O2S2/c1-3-16(4-2)14(18)10-7-9-20-13(10)15-12(17)11-6-5-8-19-11/h5-9H,3-4H2,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356506 (CHEMBL1911884) Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1cccc1 Show InChI InChI=1S/C21H25N5O2/c1-16-12-20(24-21(23-16)26-10-3-4-11-26)25(2)9-5-8-22-14-17-6-7-18-19(13-17)28-15-27-18/h3-4,6-7,10-13,22H,5,8-9,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24160 (ethyl 2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-b...) Show SMILES CCOC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C16H17NO3S2/c1-2-20-16(19)13-10-6-3-4-7-11(10)22-15(13)17-14(18)12-8-5-9-21-12/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24161 (2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzoth...) Show SMILES OC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C14H13NO3S2/c16-12(10-6-3-7-19-10)15-13-11(14(17)18)8-4-1-2-5-9(8)20-13/h3,6-7H,1-2,4-5H2,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24162 (2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiop...) Show SMILES NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C14H14N2O2S2/c15-12(17)11-8-4-1-2-5-9(8)20-14(11)16-13(18)10-6-3-7-19-10/h3,6-7H,1-2,4-5H2,(H2,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24180 (3-N,3-N-diethyl-2-N-(thiophene-2-)-4H,5H,6H,7H-thi...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CNCCc12 Show InChI InChI=1S/C17H21N3O2S2/c1-3-20(4-2)17(22)14-11-7-8-18-10-13(11)24-16(14)19-15(21)12-6-5-9-23-12/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356474 (CHEMBL1911893) Show SMILES CN(CCCNCCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C18H22N6O2S/c1-23(18-21-17(22-27-18)24-10-8-20-12-24)9-2-6-19-7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,8,10-12,19H,2,5-7,9,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356475 (CHEMBL1911984) Show SMILES CN(CCN1CCCC1c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C23H28N6O2/c1-17-12-19(26-23(25-17)29-9-7-24-15-29)20-4-3-8-28(20)11-10-27(2)14-18-5-6-21-22(13-18)31-16-30-21/h5-7,9,12-13,15,20H,3-4,8,10-11,14,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356476 (CHEMBL1911998) Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1cccnc1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C22H23N7O2S/c1-3-18(13-23-6-1)14-28(22-26-21(27-32-22)29-10-8-25-15-29)9-2-7-24-12-17-4-5-19-20(11-17)31-16-30-19/h1,3-6,8,10-11,13,15,24H,2,7,9,12,14,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356477 (CHEMBL1911999) Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1nccs1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C20H21N7O2S2/c1(4-21-11-15-2-3-16-17(10-15)29-14-28-16)7-26(12-18-23-6-9-30-18)20-24-19(25-31-20)27-8-5-22-13-27/h2-3,5-6,8-10,13,21H,1,4,7,11-12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356478 (CHEMBL1911986) Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)NCCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-11-17(26-21(25-15)27-10-8-23-13-27)18-3-2-9-28(18)22(29)24-7-6-16-4-5-19-20(12-16)31-14-30-19/h4-5,8,10-13,18H,2-3,6-7,9,14H2,1H3,(H,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356479 (CHEMBL1911990) Show SMILES CCCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C19H24N6O2S/c1-2-8-24(19-22-18(23-28-19)25-10-7-21-13-25)9-3-6-20-12-15-4-5-16-17(11-15)27-14-26-16/h4-5,7,10-11,13,20H,2-3,6,8-9,12,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356480 (CHEMBL1912000) Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1cccs1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C21H22N6O2S2/c1-3-17(30-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)29-15-28-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356481 (CHEMBL1909665) Show SMILES N#CCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C18H19N7O2S/c19-4-8-24(18-22-17(23-28-18)25-9-6-21-12-25)7-1-5-20-11-14-2-3-15-16(10-14)27-13-26-15/h2-3,6,9-10,12,20H,1,5,7-8,11,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356482 (CHEMBL1911982) Show SMILES Cc1cc(CNC(=O)NCCc2ccc3OCOc3c2)nc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20N6O3/c1-13-8-15(24-18(23-13)25-7-6-20-11-25)10-22-19(26)21-5-4-14-2-3-16-17(9-14)28-12-27-16/h2-3,6-9,11H,4-5,10,12H2,1H3,(H2,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356483 (CHEMBL1912001) Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1ccco1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C21H22N6O3S/c1-3-17(28-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)30-15-29-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356484 (CHEMBL1911981) Show SMILES Cc1cc(CCCCNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1 Show InChI InChI=1S/C20H23N5O2/c1-15-10-17(24-20(23-15)25-9-8-22-13-25)4-2-3-7-21-12-16-5-6-18-19(11-16)27-14-26-18/h5-6,8-11,13,21H,2-4,7,12,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356485 (CHEMBL1911894) Show SMILES CC(NCCN(C)Cc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C21H26N6O2/c1-15-10-18(25-21(24-15)27-9-6-22-13-27)16(2)23-7-8-26(3)12-17-4-5-19-20(11-17)29-14-28-19/h4-6,9-11,13,16,23H,7-8,12,14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50356486 (CHEMBL1911985) Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)CNCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)27-8-6-23-13-27)18-3-2-7-28(18)21(29)12-24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18,24H,2-3,7,11-12,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair

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