BDBM50070061 CHEMBL3407821

SMILES: Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1

InChI Key: InChIKey=NTYRNOKRWWTRNO-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50070061   

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))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	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	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)coumarin as substrate assessed as formation of 7-hydroxy-4-trifluoromethylcoumarin in...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair