Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'guendisch' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357549 (CHEMBL1915154) Show SMILES COC(=O)[C@H]1Cc2c(CN1CC(C)C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C17H22N2O2/c1-11(2)9-19-10-15-13(8-16(19)17(20)21-3)12-6-4-5-7-14(12)18-15/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357547 (CHEMBL1915403) Show SMILES OC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C19H18N2O3/c22-13-7-5-12(6-8-13)10-21-11-17-15(9-18(21)19(23)24)14-3-1-2-4-16(14)20-17/h1-8,18,20,22H,9-11H2,(H,23,24)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357555 (CHEMBL1915172) Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)NCCc1ccccc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C22H23N3O3/c1-28-21(26)20-13-17-16-9-5-6-10-18(16)24-19(17)14-25(20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,20,24H,11-14H2,1H3,(H,23,27)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357557 (CHEMBL1915174) Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)NC13CC4CC(CC(C4)C1)C3)[nH]c1ccccc21 |r,TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C24H29N3O3/c1-30-22(28)21-9-18-17-4-2-3-5-19(17)25-20(18)13-27(21)23(29)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,14-16,21,25H,6-13H2,1H3,(H,26,29)/t14?,15?,16?,21-,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357554 (CHEMBL1915170) Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)NC13CC4CC(CC(C4)C1)C3)[nH]c1ccccc21 |r,TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C24H29N3O3/c1-30-22(28)21-9-18-17-4-2-3-5-19(17)25-20(18)13-27(21)23(29)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,14-16,21,25H,6-13H2,1H3,(H,26,29)/t14?,15?,16?,21-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357541 (CHEMBL1915156) Show SMILES COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O4S/c1-13-7-9-14(10-8-13)27(24,25)22-12-18-16(11-19(22)20(23)26-2)15-5-3-4-6-17(15)21-18/h3-10,19,21H,11-12H2,1-2H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357550 (CHEMBL1915155) Show SMILES COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(Br)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C19H17BrN2O4S/c1-26-19(23)18-10-15-14-4-2-3-5-16(14)21-17(15)11-22(18)27(24,25)13-8-6-12(20)7-9-13/h2-9,18,21H,10-11H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357548 (CHEMBL1915153) Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C17H18N2O4/c1-3-8-23-17(21)19-10-14-12(9-15(19)16(20)22-2)11-6-4-5-7-13(11)18-14/h3-7,15,18H,1,8-10H2,2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357561 (CHEMBL1915400) Show SMILES COC(=O)[C@H]1Cc2c(CN1Cc1ccc(OCc3ccccc3)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C27H26N2O3/c1-31-27(30)26-15-23-22-9-5-6-10-24(22)28-25(23)17-29(26)16-19-11-13-21(14-12-19)32-18-20-7-3-2-4-8-20/h2-14,26,28H,15-18H2,1H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357551 (CHEMBL1915160) Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccccc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O2/c1-24-20(23)19-11-16-15-9-5-6-10-17(15)21-18(16)13-22(19)12-14-7-3-2-4-8-14/h2-10,19,21H,11-13H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357552 (CHEMBL1915163) Show SMILES COC(=O)[C@H]1Cc2c(CN1Cc1ccccc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O2/c1-24-20(23)19-11-16-15-9-5-6-10-17(15)21-18(16)13-22(19)12-14-7-3-2-4-8-14/h2-10,19,21H,11-13H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357562 (CHEMBL1915402) Show SMILES COC(=O)[C@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357546 (CHEMBL1915401) Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357560 (CHEMBL1915399) Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(OCc3ccccc3)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C27H26N2O3/c1-31-27(30)26-15-23-22-9-5-6-10-24(22)28-25(23)17-29(26)16-19-11-13-21(14-12-19)32-18-20-7-3-2-4-8-20/h2-14,26,28H,15-18H2,1H3/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357553 (CHEMBL1915169) Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)NC1CCCCC1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H25N3O3/c1-26-19(24)18-11-15-14-9-5-6-10-16(14)22-17(15)12-23(18)20(25)21-13-7-3-2-4-8-13/h5-6,9-10,13,18,22H,2-4,7-8,11-12H2,1H3,(H,21,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357556 (CHEMBL1915173) Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)NC1CCCCC1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H25N3O3/c1-26-19(24)18-11-15-14-9-5-6-10-16(14)22-17(15)12-23(18)20(25)21-13-7-3-2-4-8-13/h5-6,9-10,13,18,22H,2-4,7-8,11-12H2,1H3,(H,21,25)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357539 (CHEMBL1915151) Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C17H18N2O4/c1-3-8-23-17(21)19-10-14-12(9-15(19)16(20)22-2)11-6-4-5-7-13(11)18-14/h3-7,15,18H,1,8-10H2,2H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357559 (CHEMBL1915391) Show SMILES OC(=O)[C@H]1Cc2c(CN1S(=O)(=O)c1ccc(Br)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C18H15BrN2O4S/c19-11-5-7-12(8-6-11)26(24,25)21-10-16-14(9-17(21)18(22)23)13-3-1-2-4-15(13)20-16/h1-8,17,20H,9-10H2,(H,22,23)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357544 (CHEMBL1915167) Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)NC(C)C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C17H21N3O3/c1-10(2)18-17(22)20-9-14-12(8-15(20)16(21)23-3)11-6-4-5-7-13(11)19-14/h4-7,10,15,19H,8-9H2,1-3H3,(H,18,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50357558 (CHEMBL1915179) Show SMILES OC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(Br)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C18H15BrN2O4S/c19-11-5-7-12(8-6-11)26(24,25)21-10-16-14(9-17(21)18(22)23)13-3-1-2-4-15(13)20-16/h1-8,17,20H,9-10H2,(H,22,23)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357546 (CHEMBL1915401) Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357543 (CHEMBL1915161) Show SMILES COC(=O)[C@@H]1Cc2c(CN1CC1CC1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C17H20N2O2/c1-21-17(20)16-8-13-12-4-2-3-5-14(12)18-15(13)10-19(16)9-11-6-7-11/h2-5,11,16,18H,6-10H2,1H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357541 (CHEMBL1915156) Show SMILES COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21 |r| Show InChI InChI=1S/C20H20N2O4S/c1-13-7-9-14(10-8-13)27(24,25)22-12-18-16(11-19(22)20(23)26-2)15-5-3-4-6-17(15)21-18/h3-10,19,21H,11-12H2,1-2H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357540 (CHEMBL1915152) Show SMILES COC(=O)[C@@H]1Cc2c(CN1CC(C)C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C17H22N2O2/c1-11(2)9-19-10-15-13(8-16(19)17(20)21-3)12-6-4-5-7-14(12)18-15/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357542 (CHEMBL1915159) Show SMILES COC(=O)[C@H]1Cc2c(CN1S(C)(=O)=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C14H16N2O4S/c1-20-14(17)13-7-10-9-5-3-4-6-11(9)15-12(10)8-16(13)21(2,18)19/h3-6,13,15H,7-8H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50357545 (CHEMBL1915176) Show SMILES CC(C)CN1Cc2[nH]c3ccccc3c2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H20N2O2/c1-10(2)8-18-9-14-12(7-15(18)16(19)20)11-5-3-4-6-13(11)17-14/h3-6,10,15,17H,7-9H2,1-2H3,(H,19,20)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of aromatase after 10 mins preincubation by plate reader relative to control				Bioorg Med Chem 19: 6182-95 (2011) Article DOI: 10.1016/j.bmc.2011.09.020 BindingDB Entry DOI: 10.7270/Q2Z89CTS
					More data for this Ligand-Target Pair