Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 3197   

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))	BDBM29236 (quinolinone, 7) Show SMILES O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1 Show InChI InChI=1S/C21H16N2O3/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24)	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	n/a	n/a	1.30E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29237 (quinolinone, 8) Show SMILES Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12 Show InChI InChI=1S/C21H15FN2O3/c22-17-9-4-8-16-14(12-19(25)23-20(16)17)13-24(15-6-2-1-3-7-15)21(26)18-10-5-11-27-18/h1-12H,13H2,(H,23,25)	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	n/a	n/a	1.10E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29238 (quinolinone, 9) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25)	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	n/a	n/a	500	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29239 (quinolinone, 10) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1 Show InChI InChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26)	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	n/a	n/a	200	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29240 (quinolinone, 11) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(17-8-3-2-6-15(17)22)10-13-9-18(27)25-19-14(13)5-4-7-16(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29241 (quinolinone, 12) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	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	n/a	n/a	11	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29242 (quinolinone, 13) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-7-5-14(22)6-8-15)10-13-9-18(27)25-19-16(13)3-2-4-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29243 (quinolinone, 14) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1 Show InChI InChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29244 (quinolinone, 15) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N Show InChI InChI=1S/C22H15FN4O2S/c1-13-21(30-12-25-13)22(29)27(16-5-2-4-14(8-16)10-24)11-15-9-19(28)26-20-17(15)6-3-7-18(20)23/h2-9,12H,11H2,1H3,(H,26,28)	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	n/a	n/a	56	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29245 (quinolinone, 16) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1 Show InChI InChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)	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	n/a	n/a	100	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29246 (quinolinone, 17) Show SMILES COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C Show InChI InChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)	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	n/a	n/a	990	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29247 (quinolinone, 18) Show SMILES Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C20H13ClFN3O2S/c21-13-3-1-4-14(8-13)25(20(27)17-9-23-11-28-17)10-12-7-18(26)24-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,24,26)	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	n/a	n/a	53	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29248 (quinolinone, 19) Show SMILES Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-18(8-4-10-26-14)23(30)28(17-6-2-5-16(24)12-17)13-15-11-21(29)27-22-19(15)7-3-9-20(22)25/h2-12H,13H2,1H3,(H,27,29)	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	n/a	n/a	350	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29249 (quinolinone, 20) Show SMILES Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-12-26-9-8-18(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-19(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29250 (quinolinone, 21) Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-8-9-26-12-19(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-18(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29)	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	n/a	n/a	49	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29251 (quinolinone, 22) Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29)	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	n/a	n/a	420	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29252 (quinolinone, 23) Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClFN4O2/c1-26-12-24-10-18(26)21(29)27(15-5-2-4-14(22)9-15)11-13-8-19(28)25-20-16(13)6-3-7-17(20)23/h2-10,12H,11H2,1H3,(H,25,28)	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	n/a	n/a	9	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29253 (quinolinone, 24) Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28)	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	n/a	n/a	16	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29254 (quinolinone, 25) Show SMILES Fc1cccc2c(CN(C(=O)C3CCCC3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C22H20ClFN2O2/c23-16-7-3-8-17(12-16)26(22(28)14-5-1-2-6-14)13-15-11-20(27)25-21-18(15)9-4-10-19(21)24/h3-4,7-12,14H,1-2,5-6,13H2,(H,25,27)	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	n/a	n/a	770	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29255 (quinolinone, 26) Show SMILES CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25)	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	n/a	n/a	160	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29256 (pyridinone, 27) Show SMILES Cc1ncsc1C(=O)N(Cc1cc[nH]c(=O)c1)c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN3O2S/c1-11-16(24-10-20-11)17(23)21(14-4-2-3-13(18)8-14)9-12-5-6-19-15(22)7-12/h2-8,10H,9H2,1H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29257 (tetrahydroquinolinone, 28) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2CCCCc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H20ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.14E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29258 (coumarin, 29) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H14ClFN2O3S/c1-12-20(29-11-24-12)21(27)25(15-5-2-4-14(22)9-15)10-13-8-18(26)28-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29259 (quinoline, 30) Show SMILES COc1cc(CN(C(=O)c2scnc2C)c2cccc(Cl)c2)c2cccc(F)c2n1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-13-21(30-12-25-13)22(28)27(16-6-3-5-15(23)10-16)11-14-9-19(29-2)26-20-17(14)7-4-8-18(20)24/h3-10,12H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29260 (quinolinone, 31) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)n(C)c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-13-21(30-12-25-13)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)26(2)20-17(14)7-4-8-18(20)24/h3-10,12H,11H2,1-2H3	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	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29261 (quinolinone, 36) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(Cl)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	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	n/a	n/a	1.30E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29262 (quinoline, 32) Show SMILES Cc1ncsc1C(=O)N(Cc1ccnc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3OS/c1-13-20(28-12-25-13)21(27)26(16-5-2-4-15(22)10-16)11-14-8-9-24-19-17(14)6-3-7-18(19)23/h2-10,12H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29263 (8-fluoroisoquinoline, 33) Show SMILES Cc1ncsc1C(=O)N(Cc1cncc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3OS/c1-13-20(28-12-25-13)21(27)26(16-5-2-4-15(22)8-16)11-14-9-24-10-18-17(14)6-3-7-19(18)23/h2-10,12H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	760	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29264 (isoquinoline N-oxide, 34) Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-13-20(29-12-24-13)21(27)26(16-5-2-4-15(22)8-16)10-14-9-25(28)11-18-17(14)6-3-7-19(18)23/h2-9,11-12H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM29265 (quinolinone, 35) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h2-10,12H,11H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29236 (quinolinone, 7) Show SMILES O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1 Show InChI InChI=1S/C21H16N2O3/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29237 (quinolinone, 8) Show SMILES Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12 Show InChI InChI=1S/C21H15FN2O3/c22-17-9-4-8-16-14(12-19(25)23-20(16)17)13-24(15-6-2-1-3-7-15)21(26)18-10-5-11-27-18/h1-12H,13H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29238 (quinolinone, 9) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29239 (quinolinone, 10) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1 Show InChI InChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29240 (quinolinone, 11) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(17-8-3-2-6-15(17)22)10-13-9-18(27)25-19-14(13)5-4-7-16(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29241 (quinolinone, 12) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29242 (quinolinone, 13) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-7-5-14(22)6-8-15)10-13-9-18(27)25-19-16(13)3-2-4-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29243 (quinolinone, 14) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1 Show InChI InChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29244 (quinolinone, 15) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N Show InChI InChI=1S/C22H15FN4O2S/c1-13-21(30-12-25-13)22(29)27(16-5-2-4-14(8-16)10-24)11-15-9-19(28)26-20-17(15)6-3-7-18(20)23/h2-9,12H,11H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29245 (quinolinone, 16) Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1 Show InChI InChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29246 (quinolinone, 17) Show SMILES COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C Show InChI InChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29247 (quinolinone, 18) Show SMILES Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C20H13ClFN3O2S/c21-13-3-1-4-14(8-13)25(20(27)17-9-23-11-28-17)10-12-7-18(26)24-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29248 (quinolinone, 19) Show SMILES Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-18(8-4-10-26-14)23(30)28(17-6-2-5-16(24)12-17)13-15-11-21(29)27-22-19(15)7-3-9-20(22)25/h2-12H,13H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29249 (quinolinone, 20) Show SMILES Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-12-26-9-8-18(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-19(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29250 (quinolinone, 21) Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-8-9-26-12-19(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-18(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29251 (quinolinone, 22) Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29252 (quinolinone, 23) Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClFN4O2/c1-26-12-24-10-18(26)21(29)27(15-5-2-4-14(22)9-15)11-13-8-19(28)25-20-16(13)6-3-7-17(20)23/h2-10,12H,11H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29253 (quinolinone, 24) Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29254 (quinolinone, 25) Show SMILES Fc1cccc2c(CN(C(=O)C3CCCC3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C22H20ClFN2O2/c23-16-7-3-8-17(12-16)26(22(28)14-5-1-2-6-14)13-15-11-20(27)25-21-18(15)9-4-10-19(21)24/h3-4,7-12,14H,1-2,5-6,13H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM29255 (quinolinone, 26) Show SMILES CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	25
Kalypsys Inc.					Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...				J Med Chem 52: 3047-62 (2009) Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB
					More data for this Ligand-Target Pair

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