BDBM50356490 CHEMBL1911991

SMILES: C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1

InChI Key: InChIKey=KWJNUJWVPOSTGG-UHFFFAOYSA-N

Data: 3 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 = 50356490   

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, inducible (Homo sapiens (Human))	BDBM50356490 (CHEMBL1911991) Show SMILES C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C19H22N6O2S/c1(6-20-11-14-2-5-16-17(10-14)27-13-26-16)8-25(15-3-4-15)19-22-18(23-28-19)24-9-7-21-12-24/h2,5,7,9-10,12,15,20H,1,3-4,6,8,11,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50356490 (CHEMBL1911991) Show SMILES C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C19H22N6O2S/c1(6-20-11-14-2-5-16-17(10-14)27-13-26-16)8-25(15-3-4-15)19-22-18(23-28-19)24-9-7-21-12-24/h2,5,7,9-10,12,15,20H,1,3-4,6,8,11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187-induced nitric oxide production incubated for 24 hrs measured after ...				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50356490 (CHEMBL1911991) Show SMILES C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C19H22N6O2S/c1(6-20-11-14-2-5-16-17(10-14)27-13-26-16)8-25(15-3-4-15)19-22-18(23-28-19)24-9-7-21-12-24/h2,5,7,9-10,12,15,20H,1,3-4,6,8,11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a
Kalypsys Inc. Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...				Bioorg Med Chem Lett 21: 6888-94 (2011) Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC
					More data for this Ligand-Target Pair