BDBM50379738 CHEMBL2011129

SMILES: NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1

InChI Key: InChIKey=DYZCLXUKWFEWGV-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 = 50379738   

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))	BDBM50379738 (CHEMBL2011129) Show SMILES NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C21H28N4S/c22-21(20-7-5-15-26-20)23-18-8-9-19-17(16-18)6-1-2-12-25(19)14-13-24-10-3-4-11-24/h5,7-9,15-16H,1-4,6,10-14H2,(H2,22,23)	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	160	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 into [3H]-L-citrull...				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50379738 (CHEMBL2011129) Show SMILES NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C21H28N4S/c22-21(20-7-5-15-26-20)23-18-8-9-19-17(16-18)6-1-2-12-25(19)14-13-24-10-3-4-11-24/h5,7-9,15-16H,1-4,6,10-14H2,(H2,22,23)	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	1.69E+4	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 into [3H]-L-citrull...				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50379738 (CHEMBL2011129) Show SMILES NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C21H28N4S/c22-21(20-7-5-15-26-20)23-18-8-9-19-17(16-18)6-1-2-12-25(19)14-13-24-10-3-4-11-24/h5,7-9,15-16H,1-4,6,10-14H2,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.22E+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 into [3H]-L-citrull...				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair