BDBM50365337 CHEMBL1955939

SMILES: NC(=Nc1ccc2CCN(C3CCNCC3)c2c1)c1cccs1

InChI Key: InChIKey=UPJPJWIIGRLJBK-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 = 50365337   

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))	BDBM50365337 (CHEMBL1955939) Show SMILES NC(=Nc1ccc2CCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-4-3-13-7-10-22(16(13)12-14)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)	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	540	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))	BDBM50365337 (CHEMBL1955939) Show SMILES NC(=Nc1ccc2CCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-4-3-13-7-10-22(16(13)12-14)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)	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	2.39E+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))	BDBM50365337 (CHEMBL1955939) Show SMILES NC(=Nc1ccc2CCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-4-3-13-7-10-22(16(13)12-14)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+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