BDBM13665 3-Oxybenzamide 51::3-[2-(4-chlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide

SMILES: COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1

InChI Key: InChIKey=IHWQZDBTWMPDIP-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 = 13665   

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))	BDBM13665 (3-Oxybenzamide 51 | 3-[2-(4-chlorophenyl)ethoxy]-4...) Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H30ClN3O3/c1-33-25-7-4-22(18-26(25)34-17-12-20-2-5-23(28)6-3-20)27(32)30-19-21-10-15-31(16-11-21)24-8-13-29-14-9-24/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(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	41	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))	BDBM13665 (3-Oxybenzamide 51 | 3-[2-(4-chlorophenyl)ethoxy]-4...) Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H30ClN3O3/c1-33-25-7-4-22(18-26(25)34-17-12-20-2-5-23(28)6-3-20)27(32)30-19-21-10-15-31(16-11-21)24-8-13-29-14-9-24/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(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	41	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))	BDBM13665 (3-Oxybenzamide 51 | 3-[2-(4-chlorophenyl)ethoxy]-4...) Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H30ClN3O3/c1-33-25-7-4-22(18-26(25)34-17-12-20-2-5-23(28)6-3-20)27(32)30-19-21-10-15-31(16-11-21)24-8-13-29-14-9-24/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.27E+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