BDBM50206075 4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzothiazol-2-ylamino}-piperidin-1-ylmethyl)-benzoic acid methyl ester::CHEMBL397710

SMILES: COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1

InChI Key: InChIKey=FHFNDIVJRLHNNN-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 = 50206075   

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))	BDBM50206075 (4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...) Show SMILES COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C26H27N5O2S2/c1-33-25(32)18-6-4-17(5-7-18)16-31-12-10-19(11-13-31)29-26-30-21-9-8-20(15-23(21)35-26)28-24(27)22-3-2-14-34-22/h2-9,14-15,19H,10-13,16H2,1H3,(H2,27,28)(H,29,30)	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	>1.00E+5	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))	BDBM50206075 (4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...) Show SMILES COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C26H27N5O2S2/c1-33-25(32)18-6-4-17(5-7-18)16-31-12-10-19(11-13-31)29-26-30-21-9-8-20(15-23(21)35-26)28-24(27)22-3-2-14-34-22/h2-9,14-15,19H,10-13,16H2,1H3,(H2,27,28)(H,29,30)	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	300	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, endothelial (Homo sapiens (Human))	BDBM50206075 (4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...) Show SMILES COC(=O)c1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C26H27N5O2S2/c1-33-25(32)18-6-4-17(5-7-18)16-31-12-10-19(11-13-31)29-26-30-21-9-8-20(15-23(21)35-26)28-24(27)22-3-2-14-34-22/h2-9,14-15,19H,10-13,16H2,1H3,(H2,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+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