BDBM50206071 CHEMBL233648::N-{2-[1-(4-fluoro-benzyl)-piperidin-4-ylamino]-benzothiazol-5-yl}-thiophene-2-carboxamidine

SMILES: NC(=Nc1ccc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2c1)c1cccs1

InChI Key: InChIKey=NKTATTDEPZUQAU-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 = 50206071   

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))	BDBM50206071 (CHEMBL233648 | N-{2-[1-(4-fluoro-benzyl)-piperidin...) Show SMILES NC(=Nc1ccc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-14-19(7-8-21(20)32-24)27-23(26)22-2-1-13-31-22/h1-8,13-14,18H,9-12,15H2,(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	1.30E+4	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, brain (Homo sapiens (Human))	BDBM50206071 (CHEMBL233648 | N-{2-[1-(4-fluoro-benzyl)-piperidin...) Show SMILES NC(=Nc1ccc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-14-19(7-8-21(20)32-24)27-23(26)22-2-1-13-31-22/h1-8,13-14,18H,9-12,15H2,(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	800	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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50206071 (CHEMBL233648 | N-{2-[1-(4-fluoro-benzyl)-piperidin...) Show SMILES NC(=Nc1ccc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-14-19(7-8-21(20)32-24)27-23(26)22-2-1-13-31-22/h1-8,13-14,18H,9-12,15H2,(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	9.10E+4	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