Compile Data Set for Download or QSAR

Found 998 hits of ic50 data for polymerid = 3609   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50205961 (2-((R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4...) Show SMILES Cc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-9-20(26-22(25-15)27-8-6-23-13-27)28-7-2-3-17(28)11-21(29)24-12-16-4-5-18-19(10-16)31-14-30-18/h4-6,8-10,13,17H,2-3,7,11-12,14H2,1H3,(H,24,29)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205952 (2-((R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4...) Show SMILES CCc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N6O3/c1-2-17-11-21(27-23(26-17)28-9-7-24-14-28)29-8-3-4-18(29)12-22(30)25-13-16-5-6-19-20(10-16)32-15-31-19/h5-7,9-11,14,18H,2-4,8,12-13,15H2,1H3,(H,25,30)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205910 ((3S)-methyl 4-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)...) Show SMILES COC(=O)N1CCN([C@@H](CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C23H25N7O5/c1-33-23(32)28-8-9-30(20-4-5-25-22(27-20)29-7-6-24-14-29)17(13-28)11-21(31)26-12-16-2-3-18-19(10-16)35-15-34-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,26,31)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205937 (CHEMBL385325 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES Fc1cccc(n1)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C26H25FN8O3/c27-22-2-1-3-23(31-22)33-10-11-35(24-6-7-29-26(32-24)34-9-8-28-16-34)19(15-33)13-25(36)30-14-18-4-5-20-21(12-18)38-17-37-20/h1-9,12,16,19H,10-11,13-15,17H2,(H,30,36)	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205950 (2-((R)-1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)pyrro...) Show SMILES O=C(C[C@H]1CCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H22N6O3/c28-20(24-12-15-3-4-17-18(10-15)30-14-29-17)11-16-2-1-8-27(16)19-5-6-23-21(25-19)26-9-7-22-13-26/h3-7,9-10,13,16H,1-2,8,11-12,14H2,(H,24,28)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205947 ((2R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-y...) Show SMILES Cc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1C(=O)NCCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-11-20(26-22(25-15)27-10-8-23-13-27)28-9-2-3-17(28)21(29)24-7-6-16-4-5-18-19(12-16)31-14-30-18/h4-5,8,10-13,17H,2-3,6-7,9,14H2,1H3,(H,24,29)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50111438 (3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methy...) Show SMILES COC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C23H25N7O5/c1-33-23(32)28-8-9-30(20-4-5-25-22(27-20)29-7-6-24-14-29)17(13-28)11-21(31)26-12-16-2-3-18-19(10-16)35-15-34-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205911 (2-((R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4...) Show SMILES O=C(NCCc1ccc2OCOc2c1)[C@H]1CCCN1c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C21H22N6O3/c28-20(23-7-5-15-3-4-17-18(12-15)30-14-29-17)16-2-1-10-27(16)19-6-8-24-21(25-19)26-11-9-22-13-26/h3-4,6,8-9,11-13,16H,1-2,5,7,10,14H2,(H,23,28)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205932 (CHEMBL373623 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES CN1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C22H25N7O3/c1-27-8-9-29(20-4-5-24-22(26-20)28-7-6-23-14-28)17(13-27)11-21(30)25-12-16-2-3-18-19(10-16)32-15-31-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,25,30)	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205956 (CHEMBL223788 | N-(1,3-benzodioxol-5-ylmethyl)-1-[6...) Show SMILES Clc1cc(nc(n1)-n1ccnc1)N1CCCCC1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H23ClN6O3/c23-19-11-20(27-22(26-19)28-8-6-24-13-28)29-7-2-1-3-16(29)10-21(30)25-12-15-4-5-17-18(9-15)32-14-31-17/h4-6,8-9,11,13,16H,1-3,7,10,12,14H2,(H,25,30)	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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205957 (CHEMBL220932 | N-[(1,3-benzodioxol-5-yl)methyl]-4-...) Show SMILES O=C(CC1COCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H22N6O4/c28-20(24-11-15-1-2-17-18(9-15)31-14-30-17)10-16-12-29-8-7-27(16)19-3-4-23-21(25-19)26-6-5-22-13-26/h1-6,9,13,16H,7-8,10-12,14H2,(H,24,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205926 (CHEMBL442041 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c29-21(25-13-16-4-5-18-19(11-16)31-15-30-18)12-17-3-1-2-9-28(17)20-6-7-24-22(26-20)27-10-8-23-14-27/h4-8,10-11,14,17H,1-3,9,12-13,15H2,(H,25,29)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205954 (CHEMBL385334 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)c1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N7O4/c36-26(31-16-20-6-7-23-24(14-20)39-19-38-23)15-22-17-33(27(37)21-4-2-1-3-5-21)12-13-35(22)25-8-9-30-28(32-25)34-11-10-29-18-34/h1-11,14,18,22H,12-13,15-17,19H2,(H,31,36)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205905 (CHEMBL376713 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)COCc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C30H31N7O5/c38-28(33-16-23-6-7-25-26(14-23)42-21-41-25)15-24-17-35(29(39)19-40-18-22-4-2-1-3-5-22)12-13-37(24)27-8-9-32-30(34-27)36-11-10-31-20-36/h1-11,14,20,24H,12-13,15-19,21H2,(H,33,38)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205907 ((2R)-N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-(6-et...) Show SMILES CCc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1C(=O)NCCc1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N6O3/c1-2-17-13-21(27-23(26-17)28-11-9-24-14-28)29-10-3-4-18(29)22(30)25-8-7-16-5-6-19-20(12-16)32-15-31-19/h5-6,9,11-14,18H,2-4,7-8,10,15H2,1H3,(H,25,30)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205973 (CHEMBL411343 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CNCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H23N7O3/c29-20(25-11-15-1-2-17-18(9-15)31-14-30-17)10-16-12-22-6-8-28(16)19-3-4-24-21(26-19)27-7-5-23-13-27/h1-5,7,9,13,16,22H,6,8,10-12,14H2,(H,25,29)	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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205938 (CHEMBL424928 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(Cc2ccco2)CCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C26H27N7O4/c34-25(29-14-19-3-4-22-23(12-19)37-18-36-22)13-20-15-31(16-21-2-1-11-35-21)9-10-33(20)24-5-6-28-26(30-24)32-8-7-27-17-32/h1-8,11-12,17,20H,9-10,13-16,18H2,(H,29,34)	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	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50111438 (3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methy...) Show SMILES COC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C23H25N7O5/c1-33-23(32)28-8-9-30(20-4-5-25-22(27-20)29-7-6-24-14-29)17(13-28)11-21(31)26-12-16-2-3-18-19(10-16)35-15-34-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against the partially purified human Inducible nitric oxide synthase				J Med Chem 45: 1543-58 (2002) BindingDB Entry DOI: 10.7270/Q2CN74ND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205909 (CHEMBL223782 | N-(1,3-benzodioxol-5-ylmethyl)-4-(2...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)c1ccco1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C26H25N7O5/c34-24(29-14-18-3-4-20-22(12-18)38-17-37-20)13-19-15-31(25(35)21-2-1-11-36-21)9-10-33(19)23-5-6-28-26(30-23)32-8-7-27-16-32/h1-8,11-12,16,19H,9-10,13-15,17H2,(H,29,34)	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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205968 (CHEMBL373881 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES CS(=O)(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C22H25N7O5S/c1-35(31,32)28-8-9-29(20-4-5-24-22(26-20)27-7-6-23-14-27)17(13-28)11-21(30)25-12-16-2-3-18-19(10-16)34-15-33-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,25,30)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205930 (2-((R)-4-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4...) Show SMILES CC(C)C(=O)N1CCN(C[C@H]1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C26H31N7O4/c1-17(2)25(35)33-9-8-31(23-10-18(3)29-26(30-23)32-7-6-27-15-32)14-20(33)12-24(34)28-13-19-4-5-21-22(11-19)37-16-36-21/h4-7,10-11,15,17,20H,8-9,12-14,16H2,1-3H3,(H,28,34)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205971 (CHEMBL223792 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)OCc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C29H29N7O5/c37-27(32-16-22-6-7-24-25(14-22)41-20-40-24)15-23-17-34(29(38)39-18-21-4-2-1-3-5-21)12-13-36(23)26-8-9-31-28(33-26)35-11-10-30-19-35/h1-11,14,19,23H,12-13,15-18,20H2,(H,32,37)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205904 (1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[(4-metho...) Show SMILES COc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1 Show InChI InChI=1S/C22H26N6O2/c1-30-19-7-5-17(6-8-19)15-25-21(29)14-18-4-2-3-12-28(18)20-9-10-24-22(26-20)27-13-11-23-16-27/h5-11,13,16,18H,2-4,12,14-15H2,1H3,(H,25,29)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205964 (CHEMBL374319 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)Nc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C28H28N8O4/c37-26(31-16-20-6-7-23-24(14-20)40-19-39-23)15-22-17-34(28(38)32-21-4-2-1-3-5-21)12-13-36(22)25-8-9-30-27(33-25)35-11-10-29-18-35/h1-11,14,18,22H,12-13,15-17,19H2,(H,31,37)(H,32,38)	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205965 (CHEMBL222364 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES CCOC(=O)CN1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C25H29N7O5/c1-2-35-24(34)15-30-9-10-32(22-5-6-27-25(29-22)31-8-7-26-16-31)19(14-30)12-23(33)28-13-18-3-4-20-21(11-18)37-17-36-20/h3-8,11,16,19H,2,9-10,12-15,17H2,1H3,(H,28,33)	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	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205931 (CHEMBL223791 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)NCc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C29H30N8O4/c38-27(32-17-22-6-7-24-25(14-22)41-20-40-24)15-23-18-35(29(39)33-16-21-4-2-1-3-5-21)12-13-37(23)26-8-9-31-28(34-26)36-11-10-30-19-36/h1-11,14,19,23H,12-13,15-18,20H2,(H,32,38)(H,33,39)	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	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205974 (CHEMBL375404 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES CC(C)CCN1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C26H33N7O3/c1-19(2)6-9-31-11-12-33(24-5-7-28-26(30-24)32-10-8-27-17-32)21(16-31)14-25(34)29-15-20-3-4-22-23(13-20)36-18-35-22/h3-5,7-8,10,13,17,19,21H,6,9,11-12,14-16,18H2,1-2H3,(H,29,34)	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	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205924 (CHEMBL223384 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES CNC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C23H26N8O4/c1-24-23(33)29-8-9-31(20-4-5-26-22(28-20)30-7-6-25-14-30)17(13-29)11-21(32)27-12-16-2-3-18-19(10-16)35-15-34-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,24,33)(H,27,32)	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	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205921 (3-[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethy...) Show SMILES CC(C)OC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C25H29N7O5/c1-17(2)37-25(34)30-9-10-32(22-5-6-27-24(29-22)31-8-7-26-15-31)19(14-30)12-23(33)28-13-18-3-4-20-21(11-18)36-16-35-20/h3-8,11,15,17,19H,9-10,12-14,16H2,1-2H3,(H,28,33)	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	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205920 (CHEMBL223634 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(Cc2ccccc2)CCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C28H29N7O3/c36-27(31-16-22-6-7-24-25(14-22)38-20-37-24)15-23-18-33(17-21-4-2-1-3-5-21)12-13-35(23)26-8-9-30-28(32-26)34-11-10-29-19-34/h1-11,14,19,23H,12-13,15-18,20H2,(H,31,36)	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	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205929 (4-(acetyl)-N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(...) Show SMILES CC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C23H25N7O4/c1-16(31)28-8-9-30(21-4-5-25-23(27-21)29-7-6-24-14-29)18(13-28)11-22(32)26-12-17-2-3-19-20(10-17)34-15-33-19/h2-7,10,14,18H,8-9,11-13,15H2,1H3,(H,26,32)	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	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205976 (CHEMBL223838 | N-[(1,3-benzodioxol-5-yl)methyl]-4-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C33H34N8O5S/c1-38(2)27-7-3-6-26-25(27)5-4-8-30(26)47(43,44)40-15-16-41(31-11-12-35-33(37-31)39-14-13-34-21-39)24(20-40)18-32(42)36-19-23-9-10-28-29(17-23)46-22-45-28/h3-14,17,21,24H,15-16,18-20,22H2,1-2H3,(H,36,42)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50111448 (CHEMBL440473 | N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-...) Show SMILES Clc1cc(nc(n1)-n1ccnc1)N1CCNCC1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H22ClN7O3/c22-18-9-19(27-21(26-18)28-5-3-24-12-28)29-6-4-23-11-15(29)8-20(30)25-10-14-1-2-16-17(7-14)32-13-31-16/h1-3,5,7,9,12,15,23H,4,6,8,10-11,13H2,(H,25,30)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against the partially purified human Inducible nitric oxide synthase				J Med Chem 45: 1543-58 (2002) BindingDB Entry DOI: 10.7270/Q2CN74ND
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205953 (3-[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethy...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)Oc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N7O5/c36-26(31-16-20-6-7-23-24(14-20)39-19-38-23)15-21-17-33(28(37)40-22-4-2-1-3-5-22)12-13-35(21)25-8-9-30-27(32-25)34-11-10-29-18-34/h1-11,14,18,21H,12-13,15-17,19H2,(H,31,36)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205903 (1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3,4-dim...) Show SMILES COc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1OC Show InChI InChI=1S/C23H28N6O3/c1-31-19-7-6-17(13-20(19)32-2)15-26-22(30)14-18-5-3-4-11-29(18)21-8-9-25-23(27-21)28-12-10-24-16-28/h6-10,12-13,16,18H,3-5,11,14-15H2,1-2H3,(H,26,30)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205955 (CHEMBL220771 | N-[(1,3-benzodioxol-5-yl)methyl]-4-...) Show SMILES CC(C)C(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C26H31N7O4/c1-17(2)25(35)33-9-8-31(23-10-18(3)29-26(30-23)32-7-6-27-15-32)14-20(33)12-24(34)28-13-19-4-5-21-22(11-19)37-16-36-21/h4-7,10-11,15,17,20H,8-9,12-14,16H2,1-3H3,(H,28,34)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM331831 (US10189791, CDDO-Im 1) Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1ccnc1 |t:17,21| Show InChI InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...				US Patent US10189791 (2019) BindingDB Entry DOI: 10.7270/Q2571F3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50124519 (5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...) Show SMILES NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1 |t:1| Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase				J Med Chem 46: 913-6 (2003) Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205980 (CHEMBL223442 | N-[(1,3-benzodioxol-5-yl)methyl]hex...) Show SMILES O=C(CC1CCCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N6O3/c30-22(26-14-17-5-6-19-20(12-17)32-16-31-19)13-18-4-2-1-3-10-29(18)21-7-8-25-23(27-21)28-11-9-24-15-28/h5-9,11-12,15,18H,1-4,10,13-14,16H2,(H,26,30)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205914 (CHEMBL220156 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)S(=O)(=O)c1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C27H27N7O5S/c35-26(30-16-20-6-7-23-24(14-20)39-19-38-23)15-21-17-33(40(36,37)22-4-2-1-3-5-22)12-13-34(21)25-8-9-29-27(31-25)32-11-10-28-18-32/h1-11,14,18,21H,12-13,15-17,19H2,(H,30,35)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205944 (CHEMBL436535 | N-[(4-fluorophenyl)methyl]-1-[2-(1H...) Show SMILES Fc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1 Show InChI InChI=1S/C21H23FN6O/c22-17-6-4-16(5-7-17)14-25-20(29)13-18-3-1-2-11-28(18)19-8-9-24-21(26-19)27-12-10-23-15-27/h4-10,12,15,18H,1-3,11,13-14H2,(H,25,29)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205940 (1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-met...) Show SMILES COc1ccc(CCNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1 Show InChI InChI=1S/C23H28N6O2/c1-31-20-7-5-18(6-8-20)9-11-25-22(30)16-19-4-2-3-14-29(19)21-10-12-26-23(27-21)28-15-13-24-17-28/h5-8,10,12-13,15,17,19H,2-4,9,11,14,16H2,1H3,(H,25,30)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205970 (1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3-metho...) Show SMILES COc1cccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C22H26N6O2/c1-30-19-7-4-5-17(13-19)15-25-21(29)14-18-6-2-3-11-28(18)20-8-9-24-22(26-20)27-12-10-23-16-27/h4-5,7-10,12-13,16,18H,2-3,6,11,14-15H2,1H3,(H,25,29)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50340003 ((R)-2-(3-amino-1-phenylpropylthio)-6-methylnicotin...) Show SMILES Cc1ccc(C#N)c(S[C@H](CCN)c2ccccc2)n1 |r| Show InChI InChI=1S/C16H17N3S/c1-12-7-8-14(11-18)16(19-12)20-15(9-10-17)13-5-3-2-4-6-13/h2-8,15H,9-10,17H2,1H3/t15-/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339998 ((R)-2-(3-amino-1-phenylpropylthio)-4-chlorobenzoni...) Show SMILES NCC[C@@H](Sc1cc(Cl)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H15ClN2S/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339997 ((R)-2-(3-amino-1-phenylpropoxy)-4-chlorobenzonitri...) Show SMILES NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205939 (CHEMBL221264 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...) Show SMILES Cc1cc(nc(n1)-n1ccnc1)N1CCCCC1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N6O3/c1-16-10-21(27-23(26-16)28-9-7-24-14-28)29-8-3-2-4-18(29)12-22(30)25-13-17-5-6-19-20(11-17)32-15-31-19/h5-7,9-11,14,18H,2-4,8,12-13,15H2,1H3,(H,25,30)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM331833 (US10189791, CDDO-3P-Im 3) Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1cnc(c1)-c1cccnc1 |t:17,21| Show InChI InChI=1S/C39H46N4O3/c1-34(2)12-14-39(33(46)43-22-27(42-23-43)24-9-8-16-41-21-24)15-13-38(7)31(26(39)19-34)28(44)17-30-36(5)18-25(20-40)32(45)35(3,4)29(36)10-11-37(30,38)6/h8-9,16-18,21-23,26,29,31H,10-15,19H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...				US Patent US10189791 (2019) BindingDB Entry DOI: 10.7270/Q2571F3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50363262 (CHEMBL1944717) Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-2-1-3-14(9-13)27(17-10-24-6-7-25-17)11-12-8-18(28)26-20-15(12)4-5-16(22)19(20)23/h1-10H,11H2,(H,26,28)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 998 total )  |  Next  |  Last  >>

Jump to: