BDBM50206063 4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzothiazol-2-ylamino}-piperidin-1-ylmethyl)-benzoic acid::CHEMBL234499

SMILES: NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1

InChI Key: InChIKey=RDEJBAAVSOBTGG-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 = 50206063   

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))	BDBM50206063 (4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...) Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C25H25N5O2S2/c26-23(21-2-1-13-33-21)27-19-7-8-20-22(14-19)34-25(29-20)28-18-9-11-30(12-10-18)15-16-3-5-17(6-4-16)24(31)32/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+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))	BDBM50206063 (4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...) Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C25H25N5O2S2/c26-23(21-2-1-13-33-21)27-19-7-8-20-22(14-19)34-25(29-20)28-18-9-11-30(12-10-18)15-16-3-5-17(6-4-16)24(31)32/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)(H,31,32)	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	5.10E+3	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))	BDBM50206063 (4-(4-{6-[(thiophene-2-carboximidoyl)-amino]-benzot...) Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(cc4)C(O)=O)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C25H25N5O2S2/c26-23(21-2-1-13-33-21)27-19-7-8-20-22(14-19)34-25(29-20)28-18-9-11-30(12-10-18)15-16-3-5-17(6-4-16)24(31)32/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29)(H,31,32)	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