BDBM50209893 7-({[1-(2,5-dimethoxy-benzenesulfonyl)-piperidin-4-yl]-methanesulfonyl-amino}-methyl)-naphthalene-2-carboxamidine::CHEMBL244219

SMILES: COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O

InChI Key: InChIKey=NUJNUGQNJZROPN-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 = 50209893   

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))	BDBM50209893 (7-({[1-(2,5-dimethoxy-benzenesulfonyl)-piperidin-4...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H32N4O6S2/c1-35-23-8-9-24(36-2)25(16-23)38(33,34)29-12-10-22(11-13-29)30(37(3,31)32)17-18-4-5-19-6-7-20(26(27)28)15-21(19)14-18/h4-9,14-16,22H,10-13,17H2,1-3H3,(H3,27,28)	PDB UniProtKB/SwissProt 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem 15: 4175-92 (2007) Article DOI: 10.1016/j.bmc.2007.03.066 BindingDB Entry DOI: 10.7270/Q27H1J90
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50209893 (7-({[1-(2,5-dimethoxy-benzenesulfonyl)-piperidin-4...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H32N4O6S2/c1-35-23-8-9-24(36-2)25(16-23)38(33,34)29-12-10-22(11-13-29)30(37(3,31)32)17-18-4-5-19-6-7-20(26(27)28)15-21(19)14-18/h4-9,14-16,22H,10-13,17H2,1-3H3,(H3,27,28)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem 15: 4175-92 (2007) Article DOI: 10.1016/j.bmc.2007.03.066 BindingDB Entry DOI: 10.7270/Q27H1J90
					More data for this Ligand-Target Pair