BDBM50365336 CHEMBL1955938

SMILES: NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1

InChI Key: InChIKey=KLHSRXULOAKIFQ-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 = 50365336   

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))	BDBM50365336 (CHEMBL1955938) Show SMILES NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20)	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	180	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))	BDBM50365336 (CHEMBL1955938) Show SMILES NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20)	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	8.94E+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))	BDBM50365336 (CHEMBL1955938) Show SMILES NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.17E+3	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