BDBM50065816 CHEMBL542910::N-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-phenyl]-acetamidine

SMILES: CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1

InChI Key: InChIKey=QDIUVBVMGLOYCS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50065816   

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 (Homo sapiens (Human))	BDBM50065816 (CHEMBL542910 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...) Show SMILES CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1 |w:3.3| Show InChI InChI=1S/C18H21N3/c1-14(19)20-18-8-6-15(7-9-18)12-21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-13H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50065816 (CHEMBL542910 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...) Show SMILES CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1 |w:3.3| Show InChI InChI=1S/C18H21N3/c1-14(19)20-18-8-6-15(7-9-18)12-21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-13H2,1H3,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human endothelial nitric oxide synthase (eNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50065816 (CHEMBL542910 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...) Show SMILES CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1 |w:3.3| Show InChI InChI=1S/C18H21N3/c1-14(19)20-18-8-6-15(7-9-18)12-21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-13H2,1H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
					More data for this Ligand-Target Pair