BDBM50060407 CHEMBL3394387

SMILES: Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1

InChI Key: InChIKey=MPQMVSXQSZLJJB-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50060407   

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))	BDBM50060407 (CHEMBL3394387) Show SMILES Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1 Show InChI InChI=1S/C22H23N5/c1-16-10-20(27-22(24)11-16)6-5-17-12-18(15-23)14-21(13-17)26-9-7-19-4-2-3-8-25-19/h2-4,8,10-14,26H,5-7,9H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 58: 994-1004 (2015) Article DOI: 10.1021/jm501723p BindingDB Entry DOI: 10.7270/Q2833TP5
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50060407 (CHEMBL3394387) Show SMILES Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1 Show InChI InChI=1S/C22H23N5/c1-16-10-20(27-22(24)11-16)6-5-17-12-18(15-23)14-21(13-17)26-9-7-19-4-2-3-8-25-19/h2-4,8,10-14,26H,5-7,9H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of bovine eNOS				J Med Chem 58: 994-1004 (2015) Article DOI: 10.1021/jm501723p BindingDB Entry DOI: 10.7270/Q2833TP5
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50060407 (CHEMBL3394387) Show SMILES Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1 Show InChI InChI=1S/C22H23N5/c1-16-10-20(27-22(24)11-16)6-5-17-12-18(15-23)14-21(13-17)26-9-7-19-4-2-3-8-25-19/h2-4,8,10-14,26H,5-7,9H2,1H3,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse iNOS				J Med Chem 58: 994-1004 (2015) Article DOI: 10.1021/jm501723p BindingDB Entry DOI: 10.7270/Q2833TP5
					More data for this Ligand-Target Pair