Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM254907'   

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
Prothrombin (Homo sapiens (Human))	BDBM254907 (US9493472, 29 | US9493472, 30 | US9493472, 31) Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254907 (US9493472, 29 | US9493472, 30 | US9493472, 31) Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254907 (US9493472, 29 | US9493472, 30 | US9493472, 31) Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair