BDBM106742 CHEMBL1823372::US8586620, 160

SMILES: CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1

InChI Key: InChIKey=GSWFTSBRUQGJAA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 106742   

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))	BDBM106742 (CHEMBL1823372 | US8586620, 160) Show SMILES CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM106742 (CHEMBL1823372 | US8586620, 160) Show SMILES CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull...				Bioorg Med Chem Lett 21: 5234-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.042 BindingDB Entry DOI: 10.7270/Q2JD4X63
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106742 (CHEMBL1823372 | US8586620, 160) Show SMILES CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)	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	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull...				Bioorg Med Chem Lett 21: 5234-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.042 BindingDB Entry DOI: 10.7270/Q2JD4X63
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM106742 (CHEMBL1823372 | US8586620, 160) Show SMILES CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair