BDBM50150929 CHEMBL185441::Octahydro-isoindol-(1Z)-ylideneamine

SMILES: NC1=NCC2CCCCC12

InChI Key: InChIKey=VVYRMIBCBFMCJN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50150929   

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))	BDBM50150929 (CHEMBL185441 | Octahydro-isoindol-(1Z)-ylideneamin...) Show SMILES NC1=NCC2CCCCC12 |t:1| Show InChI InChI=1S/C8H14N2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2,(H2,9,10)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity against Inducible nitric oxide synthase				Bioorg Med Chem Lett 14: 4539-44 (2004) Article DOI: 10.1016/j.bmcl.2004.06.033 BindingDB Entry DOI: 10.7270/Q218377V
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50150929 (CHEMBL185441 | Octahydro-isoindol-(1Z)-ylideneamin...) Show SMILES NC1=NCC2CCCCC12 |t:1| Show InChI InChI=1S/C8H14N2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2,(H2,9,10)	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	660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 14: 4539-44 (2004) Article DOI: 10.1016/j.bmcl.2004.06.033 BindingDB Entry DOI: 10.7270/Q218377V
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50150929 (CHEMBL185441 | Octahydro-isoindol-(1Z)-ylideneamin...) Show SMILES NC1=NCC2CCCCC12 |t:1| Show InChI InChI=1S/C8H14N2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2,(H2,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 14: 4539-44 (2004) Article DOI: 10.1016/j.bmcl.2004.06.033 BindingDB Entry DOI: 10.7270/Q218377V
					More data for this Ligand-Target Pair