Compile Data Set for Download or QSAR

Found 21 hits of ki for UniProtKB: Q9Z0J4   

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, brain (Mus musculus)	BDBM344422 (US9783500, Compound 17) Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344421 (US9783500, Compound 16) Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344419 (US9783500, Compound 14) Show SMILES CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344408 (US9783500, Compound 10 | US9783500, Compound 4) Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344416 (US9783500, Compound 11) Show SMILES CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H19N3O/c1-21(2)15-4-3-5-16(11-15)22-12-13-6-7-14-8-9-18(19)20-17(14)10-13/h3-11H,12H2,1-2H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344425 (US9783500, Compound (R)-19) Show SMILES CN[C@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1 |r| Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344417 (US9783500, Compound 12) Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344424 (US9783500, Compound rac-19) Show SMILES CNC(C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344413 (US9783500, Compound 8) Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344418 (US9783500, Compound 13) Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344410 (US9783500, Compound 18 | US9783500, Compound 6) Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344409 (US9783500, Compound 5) Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1 Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344420 (US9783500, Compound 15) Show SMILES CNCc1ccc(OCc2ccc3ccc(N)nc3c2)cc1 Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-7-16(8-4-13)22-12-14-2-5-15-6-9-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344426 (US9783500, Compound (S)-19) Show SMILES CN[C@@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1 |r| Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344410 (US9783500, Compound 18 | US9783500, Compound 6) Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM344408 (US9783500, Compound 10 | US9783500, Compound 4) Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM50330882 (CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...) Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344407 (US9783500, Compound 3) Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	3.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Mus musculus)	BDBM344414 (US9783500, Compound 9) Show SMILES CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-24(2)12-4-6-16-5-3-7-19(13-16)25-15-17-8-9-18-10-11-21(22)23-20(18)14-17/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Mus musculus)	BDBM50330882 (CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...) Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)