BDBM13639 3-Oxybenzamide 25::3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide

SMILES: Clc1ccc(CCOc2cccc(c2)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1

InChI Key: InChIKey=AQDTWVBZQDZQEZ-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 13639   

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
Coagulation factor X (Homo sapiens (Human))	BDBM13639 (3-Oxybenzamide 25 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES Clc1ccc(CCOc2cccc(c2)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-5-4-20(25(28)17-22)10-15-33-24-3-1-2-21(16-24)26(32)30-18-19-8-13-31(14-9-19)23-6-11-29-12-7-23/h1-7,11-12,16-17,19H,8-10,13-15,18H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 3290-312 (2005) Article DOI: 10.1021/jm049187l BindingDB Entry DOI: 10.7270/Q28C9THZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13639 (3-Oxybenzamide 25 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES Clc1ccc(CCOc2cccc(c2)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-5-4-20(25(28)17-22)10-15-33-24-3-1-2-21(16-24)26(32)30-18-19-8-13-31(14-9-19)23-6-11-29-12-7-23/h1-7,11-12,16-17,19H,8-10,13-15,18H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to human factor 10a using S-2765 as substrate preincubated for 15 mins followed by substrate addition measured between 1 and 5 mins ...				Bioorg Med Chem Lett 28: 2343-2352 (2018) Article DOI: 10.1016/j.bmcl.2018.05.061 BindingDB Entry DOI: 10.7270/Q28918HM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13639 (3-Oxybenzamide 25 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES Clc1ccc(CCOc2cccc(c2)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-5-4-20(25(28)17-22)10-15-33-24-3-1-2-21(16-24)26(32)30-18-19-8-13-31(14-9-19)23-6-11-29-12-7-23/h1-7,11-12,16-17,19H,8-10,13-15,18H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 14: 2801-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.059 BindingDB Entry DOI: 10.7270/Q2XS5WW7
					More data for this Ligand-Target Pair