Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 8143   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.0750	-57.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company					Assay Description Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...				J Enzyme Inhib Med Chem 26: 514-26 (2011) Article DOI: 10.3109/14756366.2010.535793 BindingDB Entry DOI: 10.7270/Q2VX0FDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.140	-57.4	n/a	n/a	n/a	n/a	n/a	7.4	31
Bristol-Myers Squibb Company					Assay Description Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...				J Enzyme Inhib Med Chem 26: 514-26 (2011) Article DOI: 10.3109/14756366.2010.535793 BindingDB Entry DOI: 10.7270/Q2VX0FDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.25	-57.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Bristol-Myers Squibb Company					Assay Description Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...				J Enzyme Inhib Med Chem 26: 514-26 (2011) Article DOI: 10.3109/14756366.2010.535793 BindingDB Entry DOI: 10.7270/Q2VX0FDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.400	-56.9	n/a	n/a	n/a	n/a	n/a	7.4	43
Bristol-Myers Squibb Company					Assay Description Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...				J Enzyme Inhib Med Chem 26: 514-26 (2011) Article DOI: 10.3109/14756366.2010.535793 BindingDB Entry DOI: 10.7270/Q2VX0FDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.410	-53.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description For comparison with the prothrombinase reaction the assays were also conducted with S2765 at 25 and 37°C in a similar buffer: 20 mM HEPES, pH 7.5 con...				J Enzyme Inhib Med Chem 26: 514-26 (2011) Article DOI: 10.3109/14756366.2010.535793 BindingDB Entry DOI: 10.7270/Q2VX0FDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM19023 (1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.720	-54.3	n/a	n/a	n/a	n/a	n/a	7.5	37
Bristol-Myers Squibb Company					Assay Description For comparison with the prothrombinase reaction the assays were also conducted with S2765 at 25 and 37°C in a similar buffer: 20 mM HEPES, pH 7.5 con...				J Enzyme Inhib Med Chem 26: 514-26 (2011) Article DOI: 10.3109/14756366.2010.535793 BindingDB Entry DOI: 10.7270/Q2VX0FDF
					More data for this Ligand-Target Pair				3D Structure (crystal)