BDBM50167017 4-(7-Carbamimidoyl-naphthalen-2-ylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-carboxylic acid; dihydrochloride::CHEMBL558039

SMILES: NC(=N)N1CCc2ccc(SCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1

InChI Key: InChIKey=OACBHALLIZRWHF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50167017   

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
Prothrombin (Homo sapiens (Human))	BDBM50167017 (4-(7-Carbamimidoyl-naphthalen-2-ylsulfanylmethyl)-...) Show SMILES NC(=N)N1CCc2ccc(SCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1 Show InChI InChI=1S/C22H27N5O2S/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50167017 (4-(7-Carbamimidoyl-naphthalen-2-ylsulfanylmethyl)-...) Show SMILES NC(=N)N1CCc2ccc(SCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1 Show InChI InChI=1S/C22H27N5O2S/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(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	390	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair