BDBM50206076 CHEMBL234498::N-{2-[1-(4-methoxy-benzyl)-piperidin-4-ylamino]-benzothiazol-6-yl}-thiophene-2-carboxamidine

SMILES: COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1

InChI Key: InChIKey=JKCMRFBLPLIHBN-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 = 50206076   

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, endothelial (Homo sapiens (Human))	BDBM50206076 (CHEMBL234498 | N-{2-[1-(4-methoxy-benzyl)-piperidi...) Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:23.25| Show InChI InChI=1S/C25H27N5OS2/c1-31-20-7-4-17(5-8-20)16-30-12-10-18(11-13-30)28-25-29-21-9-6-19(15-23(21)33-25)27-24(26)22-3-2-14-32-22/h2-9,14-15,18H,10-13,16H2,1H3,(H2,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human endothelial NOS activity				Bioorg Med Chem Lett 17: 2540-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50206076 (CHEMBL234498 | N-{2-[1-(4-methoxy-benzyl)-piperidi...) Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:23.25| Show InChI InChI=1S/C25H27N5OS2/c1-31-20-7-4-17(5-8-20)16-30-12-10-18(11-13-30)28-25-29-21-9-6-19(15-23(21)33-25)27-24(26)22-3-2-14-32-22/h2-9,14-15,18H,10-13,16H2,1H3,(H2,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human inducible NOS activity				Bioorg Med Chem Lett 17: 2540-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50206076 (CHEMBL234498 | N-{2-[1-(4-methoxy-benzyl)-piperidi...) Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:23.25| Show InChI InChI=1S/C25H27N5OS2/c1-31-20-7-4-17(5-8-20)16-30-12-10-18(11-13-30)28-25-29-21-9-6-19(15-23(21)33-25)27-24(26)22-3-2-14-32-22/h2-9,14-15,18H,10-13,16H2,1H3,(H2,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human neuronal NOS activity				Bioorg Med Chem Lett 17: 2540-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B
					More data for this Ligand-Target Pair