BDBM50365331 CHEMBL1955933

SMILES: NC(=Nc1ccc2CCN(C3CCCCC3)c2c1)c1cccs1

InChI Key: InChIKey=MMLFTYMILUDDSF-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 = 50365331   

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))	BDBM50365331 (CHEMBL1955933) Show SMILES NC(=Nc1ccc2CCN(C3CCCCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C19H23N3S/c20-19(18-7-4-12-23-18)21-15-9-8-14-10-11-22(17(14)13-15)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11H2,(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	4.07E+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))	BDBM50365331 (CHEMBL1955933) Show SMILES NC(=Nc1ccc2CCN(C3CCCCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C19H23N3S/c20-19(18-7-4-12-23-18)21-15-9-8-14-10-11-22(17(14)13-15)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11H2,(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	>1.00E+5	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))	BDBM50365331 (CHEMBL1955933) Show SMILES NC(=Nc1ccc2CCN(C3CCCCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C19H23N3S/c20-19(18-7-4-12-23-18)21-15-9-8-14-10-11-22(17(14)13-15)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11H2,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	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