BDBM50401279 CHEMBL3215893

SMILES: Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1

InChI Key: InChIKey=PALXFAOADSCVKN-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 = 50401279   

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, endothelial (Homo sapiens (Human))	BDBM50401279 (CHEMBL3215893) Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...				Eur J Med Chem 55: 94-107 (2012) Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50401279 (CHEMBL3215893) Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(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	120	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...				Eur J Med Chem 55: 94-107 (2012) Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50401279 (CHEMBL3215893) Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(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	3.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...				Eur J Med Chem 55: 94-107 (2012) Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
					More data for this Ligand-Target Pair