BDBM50394738 CHEMBL2165828

SMILES: N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1

InChI Key: InChIKey=ARRHYORTUJNWLD-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50394738   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50394738 (CHEMBL2165828) Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1 Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(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	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50394738 (CHEMBL2165828) Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1 Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(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	248	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50394738 (CHEMBL2165828) Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1 Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair