BDBM50180876 CHEMBL3818486::US10759791, Compound 11

SMILES: Cc1cc(N)nc(CCc2cccnc2)c1

InChI Key: InChIKey=DYLNHZHSDSCRIL-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50180876   

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 (Rattus norvegicus (rat))	BDBM50180876 (CHEMBL3818486 | US10759791, Compound 11) Show SMILES Cc1cc(N)nc(CCc2cccnc2)c1 Show InChI InChI=1S/C13H15N3/c1-10-7-12(16-13(14)8-10)5-4-11-3-2-6-15-9-11/h2-3,6-9H,4-5H2,1H3,(H2,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	706	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 ...				J Med Chem 59: 4913-25 (2016) BindingDB Entry DOI: 10.7270/Q2J38VHQ
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50180876 (CHEMBL3818486 | US10759791, Compound 11) Show SMILES Cc1cc(N)nc(CCc2cccnc2)c1 Show InChI InChI=1S/C13H15N3/c1-10-7-12(16-13(14)8-10)5-4-11-3-2-6-15-9-11/h2-3,6-9H,4-5H2,1H3,(H2,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	706	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...				US Patent US10759791 (2020)
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50180876 (CHEMBL3818486 | US10759791, Compound 11) Show SMILES Cc1cc(N)nc(CCc2cccnc2)c1 Show InChI InChI=1S/C13H15N3/c1-10-7-12(16-13(14)8-10)5-4-11-3-2-6-15-9-11/h2-3,6-9H,4-5H2,1H3,(H2,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...				US Patent US10759791 (2020)
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50180876 (CHEMBL3818486 | US10759791, Compound 11) Show SMILES Cc1cc(N)nc(CCc2cccnc2)c1 Show InChI InChI=1S/C13H15N3/c1-10-7-12(16-13(14)8-10)5-4-11-3-2-6-15-9-11/h2-3,6-9H,4-5H2,1H3,(H2,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production me...				J Med Chem 59: 4913-25 (2016) BindingDB Entry DOI: 10.7270/Q2J38VHQ
					More data for this Ligand-Target Pair