BDBM50379737 CHEMBL2011128

SMILES: CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1

InChI Key: InChIKey=QXFJJJSLQHBNAZ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50379737   

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 (Homo sapiens (Human))	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull...				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant eNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull...				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Rattus norvegicus)	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat iNOS				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Rattus norvegicus)	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat eNOS				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull...				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair