BDBM13656 3-Oxybenzamide 42::3-[2-(2,4-dichlorophenyl)ethoxy]-4,5-dimethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide

SMILES: COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1

InChI Key: InChIKey=BUHZALANBOOLCL-UHFFFAOYSA-N

Data: 4 KI

PDB links: 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 4 hits for monomerid = 13656   

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))	BDBM13656 (3-Oxybenzamide 42 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O4/c1-35-25-15-21(16-26(27(25)36-2)37-14-9-20-3-4-22(29)17-24(20)30)28(34)32-18-19-7-12-33(13-8-19)23-5-10-31-11-6-23/h3-6,10-11,15-17,19H,7-9,12-14,18H2,1-2H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	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))	BDBM13656 (3-Oxybenzamide 42 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O4/c1-35-25-15-21(16-26(27(25)36-2)37-14-9-20-3-4-22(29)17-24(20)30)28(34)32-18-19-7-12-33(13-8-19)23-5-10-31-11-6-23/h3-6,10-11,15-17,19H,7-9,12-14,18H2,1-2H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	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))	BDBM13656 (3-Oxybenzamide 42 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O4/c1-35-25-15-21(16-26(27(25)36-2)37-14-9-20-3-4-22(29)17-24(20)30)28(34)32-18-19-7-12-33(13-8-19)23-5-10-31-11-6-23/h3-6,10-11,15-17,19H,7-9,12-14,18H2,1-2H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	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
Prothrombin (Homo sapiens (Human))	BDBM13656 (3-Oxybenzamide 42 | 3-[2-(2,4-dichlorophenyl)ethox...) Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O4/c1-35-25-15-21(16-26(27(25)36-2)37-14-9-20-3-4-22(29)17-24(20)30)28(34)32-18-19-7-12-33(13-8-19)23-5-10-31-11-6-23/h3-6,10-11,15-17,19H,7-9,12-14,18H2,1-2H3,(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.12E+3	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 thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...				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