Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50033870   

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 (Mus musculus (mouse))	BDBM50353025 (CHEMBL1821987) Show SMILES CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5OCOc5c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 |r,c:8,27| Show InChI InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/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	9.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353027 (CHEMBL1821990) Show SMILES CC(C)CNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@@H]4[C@H]3[C@@H]2C=C[C@H]14 |r,c:31,TLB:11:24:8.7:27.28,9:8:25.24:27.28,10:25:8.7:27.28,THB:11:10:26:7.29.24,5:7:25.24:27.28| Show InChI InChI=1S/C26H33NO3/c1-14(2)12-27-26(28)25-18-8-7-17-20(25)11-19-16(23(18)24(17)19)5-3-4-15-6-9-21-22(10-15)30-13-29-21/h6-10,14,16-20,23-25H,3-5,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,23-,24-,25-/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	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50207159 (2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...) Show SMILES NNC(N)=N Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353026 (CHEMBL1821989) Show SMILES OC(=O)\C=C\[C@@H]1[C@@H]2C[C@H]3[C@H](CCCCCc4ccc5OCOc5c4)[C@H]4[C@H]3[C@@H]2C=C[C@@H]14 |r,c:31,TLB:7:6:25.24:27.28,8:25:6.5:27.28,9:24:6.5:27.28,THB:4:5:25.24:27.28| Show InChI InChI=1S/C26H30O4/c27-24(28)11-9-16-18-7-8-19-20(16)13-21-17(25(18)26(19)21)5-3-1-2-4-15-6-10-22-23(12-15)30-14-29-22/h6-12,16-21,25-26H,1-5,13-14H2,(H,27,28)/b11-9+/t16-,17-,18-,19+,20-,21-,25+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353024 (CHEMBL1821986) Show SMILES OC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5OCOc5c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 |r,c:4,23| Show InChI InChI=1S/C22H22O4/c23-22(24)15-3-2-12-9-17-16(14-5-4-13(15)20(12)21(14)17)7-11-1-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,20-21H,7,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,17+,20-,21-/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	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353030 (CHEMBL1821993) Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C23H28O7/c1-12-13(2)21(15-9-18(26-5)23-19(10-15)28-11-29-23)30-20(12)14-7-16(24-3)22(27-6)17(8-14)25-4/h7-10,12-13,20-21H,11H2,1-6H3/t12-,13-,20-,21-/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	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353023 (CHEMBL1821985) Show SMILES OC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 |r,c:4,25| Show InChI InChI=1S/C24H26O4/c25-24(26)18-6-5-14-11-19-15(16-7-8-17(18)22(14)23(16)19)3-1-2-13-4-9-20-21(10-13)28-12-27-20/h4-10,14-19,22-23H,1-3,11-12H2,(H,25,26)/t14-,15-,16-,17+,18-,19+,22-,23-/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	4.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353029 (CHEMBL1821992) Show SMILES COc1cc(cc(OC)c1OC)[C@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C24H30O9/c1-13(14(2)25)21(15-9-17(27-3)22(31-7)18(10-15)28-4)33-24(26)16-11-19(29-5)23(32-8)20(12-16)30-6/h9-13,21H,1-8H3/t13-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353028 (CHEMBL1821991) Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(O)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C22H26O7/c1-11-12(2)20(14-8-17(25-4)22-18(9-14)27-10-28-22)29-19(11)13-6-15(23)21(26-5)16(7-13)24-3/h6-9,11-12,19-20,23H,10H2,1-5H3/t11-,12-,19-,20-/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	5.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353031 (CHEMBL1821994) Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc2OCOc2c(OC)c1 |r| Show InChI InChI=1S/C22H24O7/c1-11-12(2)20(14-6-16(24-4)22-18(8-14)26-10-28-22)29-19(11)13-5-15(23-3)21-17(7-13)25-9-27-21/h5-8,11-12,19-20H,9-10H2,1-4H3/t11-,12-,19-,20-/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	5.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353032 (CHEMBL1821988) Show SMILES OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@@H]4[C@H]3[C@@H]2C=C[C@H]14 |r,c:27,TLB:7:20:4.3:23.24,5:4:21.20:23.24,6:21:4.3:23.24,THB:23:22:5.6:3.25.20,1:3:21.20:23.24| Show InChI InChI=1S/C22H24O4/c23-22(24)21-14-6-5-13-16(21)9-15-12(19(14)20(13)15)3-1-2-11-4-7-17-18(8-11)26-10-25-17/h4-8,12-16,19-21H,1-3,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,19-,20-,21-/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	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair