BDBM50365333 CHEMBL1955935

SMILES: NC(=Nc1ccc2CCN(C3CCSCC3)c2c1)c1cccs1

InChI Key: InChIKey=HZFUGRVPOVKIMY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50365333   

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))	BDBM50365333 (CHEMBL1955935) Show SMILES NC(=Nc1ccc2CCN(C3CCSCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H21N3S2/c19-18(17-2-1-9-23-17)20-14-4-3-13-5-8-21(16(13)12-14)15-6-10-22-11-7-15/h1-4,9,12,15H,5-8,10-11H2,(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	2.07E+3	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 to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50365333 (CHEMBL1955935) Show SMILES NC(=Nc1ccc2CCN(C3CCSCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H21N3S2/c19-18(17-2-1-9-23-17)20-14-4-3-13-5-8-21(16(13)12-14)15-6-10-22-11-7-15/h1-4,9,12,15H,5-8,10-11H2,(H2,19,20)	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	1.12E+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 to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50365333 (CHEMBL1955935) Show SMILES NC(=Nc1ccc2CCN(C3CCSCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H21N3S2/c19-18(17-2-1-9-23-17)20-14-4-3-13-5-8-21(16(13)12-14)15-6-10-22-11-7-15/h1-4,9,12,15H,5-8,10-11H2,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+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 to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
					More data for this Ligand-Target Pair