Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 8487   

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))	BDBM252994 (US9469608, 23-4b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1NCc2ccccc12 |r| Show InChI InChI=1S/C22H25ClN4O2/c23-17-8-7-14(11-24)16(10-17)13-26-21(28)19-6-3-9-27(19)22(29)20-18-5-2-1-4-15(18)12-25-20/h1-2,4-5,7-8,10,19-20,25H,3,6,9,11-13,24H2,(H,26,28)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253008 (US9469608, 36-3) Show SMILES OC1(CCc2cccnc12)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C22H22ClN7O3/c23-16-5-6-17(30-13-26-27-28-30)15(11-16)12-25-20(31)18-4-2-10-29(18)21(32)22(33)8-7-14-3-1-9-24-19(14)22/h1,3,5-6,9,11,13,18,33H,2,4,7-8,10,12H2,(H,25,31)/t18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253006 (US9469608, 34-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1NCc2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O2/c22-16-6-5-13(10-23)15(9-16)12-25-20(27)18-7-8-26(18)21(28)19-17-4-2-1-3-14(17)11-24-19/h1-6,9,18-19,24H,7-8,10-12,23H2,(H,25,27)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253013 (US9469608, 39-10b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@@H]1NS(=O)(=O)c2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253012 (US9469608, 39-10a) Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@H]1NS(=O)(=O)c2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252985 (US9469608, 13-10) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1ccncc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253004 (US9469608, 32-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cccnc12 |r| Show InChI InChI=1S/C23H27ClN4O3/c24-18-8-7-16(13-25)17(12-18)14-27-21(29)19-6-3-11-28(19)22(30)23(31)9-1-4-15-5-2-10-26-20(15)23/h2,5,7-8,10,12,19,31H,1,3-4,6,9,11,13-14,25H2,(H,27,29)/t19-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253003 (US9469608, 31-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cnccc12 |r| Show InChI InChI=1S/C23H27ClN4O3/c24-18-6-5-15(12-25)17(11-18)14-27-21(29)20-4-2-10-28(20)22(30)23(31)8-1-3-16-13-26-9-7-19(16)23/h5-7,9,11,13,20,31H,1-4,8,10,12,14,25H2,(H,27,29)/t20-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252990 (US9469608, 20-8) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2cccnc12 |r| Show InChI InChI=1S/C22H25ClN4O3/c23-17-6-5-15(12-24)16(11-17)13-26-20(28)18-4-2-10-27(18)21(29)22(30)8-7-14-3-1-9-25-19(14)22/h1,3,5-6,9,11,18,30H,2,4,7-8,10,12-13,24H2,(H,26,28)/t18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252995 (US9469608, 24-8) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1COc2ccccc12 |r| Show InChI InChI=1S/C22H24ClN3O3/c23-16-8-7-14(11-24)15(10-16)12-25-21(27)19-5-3-9-26(19)22(28)18-13-29-20-6-2-1-4-17(18)20/h1-2,4,6-8,10,18-19H,3,5,9,11-13,24H2,(H,25,27)/t18?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252984 (US9469608, 11-2) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(O)c1ccccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253002 (US9469608, 30-6) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2ncccc12 |r| Show InChI InChI=1S/C23H27ClN4O3/c24-17-8-7-15(13-25)16(12-17)14-27-21(29)20-6-3-11-28(20)22(30)23(31)9-1-5-19-18(23)4-2-10-26-19/h2,4,7-8,10,12,20,31H,1,3,5-6,9,11,13-14,25H2,(H,27,29)/t20-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252982 (US9469608, 9-2) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(O)c1cccnc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252991 (US9469608, 21-6) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1OCc2ccccc12 |r| Show InChI InChI=1S/C22H24ClN3O3/c23-17-8-7-14(11-24)16(10-17)12-25-21(27)19-6-3-9-26(19)22(28)20-18-5-2-1-4-15(18)13-29-20/h1-2,4-5,7-8,10,19-20H,3,6,9,11-13,24H2,(H,25,27)/t19-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252999 (US9469608, 28-6) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2ccncc12 |r| Show InChI InChI=1S/C22H25ClN4O3/c23-17-4-3-15(11-24)16(10-17)12-26-20(28)19-2-1-9-27(19)21(29)22(30)7-5-14-6-8-25-13-18(14)22/h3-4,6,8,10,13,19,30H,1-2,5,7,9,11-12,24H2,(H,26,28)/t19-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252983 (US9469608, 10-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1ccccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252980 (US9469608, 7-1) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cc2ccncc2)c[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252981 (US9469608, 8-8) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1cccnc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252998 (US9469608, 27-9) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2cnccc12 |r| Show InChI InChI=1S/C22H25ClN4O3/c23-17-4-3-14(11-24)16(10-17)13-26-20(28)19-2-1-9-27(19)21(29)22(30)7-5-15-12-25-8-6-18(15)22/h3-4,6,8,10,12,19,30H,1-2,5,7,9,11,13,24H2,(H,26,28)/t19-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252978 (US9469608, 5-9 | US9469608, 6-2) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1ccncc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252987 (US9469608, 15-8) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1ccccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252986 (US9469608, 14-5) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1cccnc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252974 (US9469608, 1-12) Show SMILES CC(C)(C)[C@@H](CCO)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C21H32ClN3O3/c1-21(2,3)17(8-10-26)20(28)25-9-4-5-18(25)19(27)24-13-15-11-16(22)7-6-14(15)12-23/h6-7,11,17-18,26H,4-5,8-10,12-13,23H2,1-3H3,(H,24,27)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252977 (US9469608, 4-5) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([nH]1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253000 (US9469608, 29-9a) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(N)CCc2cccnc12 |r| Show InChI InChI=1S/C22H26ClN5O2/c23-17-6-5-15(12-24)16(11-17)13-27-20(29)18-4-2-10-28(18)21(30)22(25)8-7-14-3-1-9-26-19(14)22/h1,3,5-6,9,11,18H,2,4,7-8,10,12-13,24-25H2,(H,27,29)/t18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253005 (US9469608, 33-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1OCc2ccccc12 |r| Show InChI InChI=1S/C21H22ClN3O3/c22-16-6-5-13(10-23)15(9-16)11-24-20(26)18-7-8-25(18)21(27)19-17-4-2-1-3-14(17)12-28-19/h1-6,9,18-19H,7-8,10-12,23H2,(H,24,26)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252976 (US9469608, 3-5) Show SMILES CCOC(=O)c1ccc([nH]1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	47	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252989 (US9469608, 19-4) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2ncccc12 |r| Show InChI InChI=1S/C22H25ClN4O3/c23-16-6-5-14(12-24)15(11-16)13-26-20(28)19-4-2-10-27(19)21(29)22(30)8-7-18-17(22)3-1-9-25-18/h1,3,5-6,9,11,19,30H,2,4,7-8,10,12-13,24H2,(H,26,28)/t19-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	49	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252996 (US9469608, 25-5) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1CNc2ccccc12 |r| Show InChI InChI=1S/C22H25ClN4O2/c23-16-8-7-14(11-24)15(10-16)12-26-21(28)20-6-3-9-27(20)22(29)18-13-25-19-5-2-1-4-17(18)19/h1-2,4-5,7-8,10,18,20,25H,3,6,9,11-13,24H2,(H,26,28)/t18?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	59	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253010 (US9469608, 37-11b) Show SMILES CC1(C)C[C@]1(O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H26ClN3O3/c1-18(2)11-19(18,26)17(25)23-7-3-4-15(23)16(24)22-10-13-8-14(20)6-5-12(13)9-21/h5-6,8,15,26H,3-4,7,9-11,21H2,1-2H3,(H,22,24)/t15-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	65	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252993 (US9469608, 23-4a) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1NCc2ccccc12 |r| Show InChI InChI=1S/C22H25ClN4O2/c23-17-8-7-14(11-24)16(10-17)13-26-21(28)19-6-3-9-27(19)22(29)20-18-5-2-1-4-15(18)12-25-20/h1-2,4-5,7-8,10,19-20,25H,3,6,9,11-13,24H2,(H,26,28)/t19-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252978 (US9469608, 5-9 | US9469608, 6-2) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1ccncc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	87	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253017 (US9469608, 45) Show SMILES Cc1ccc([nH]1)C(=O)N1CCC[C@@]1(C)C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	93	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253011 (US9469608, 38-4) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCO1 |r| Show InChI InChI=1S/C18H24ClN3O3/c19-14-6-5-12(10-20)13(9-14)11-21-17(23)15-3-1-7-22(15)18(24)16-4-2-8-25-16/h5-6,9,15-16H,1-4,7-8,10-11,20H2,(H,21,23)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253001 (US9469608, 29-9b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(N)CCc2cccnc12 |r| Show InChI InChI=1S/C22H26ClN5O2/c23-17-6-5-15(12-24)16(11-17)13-27-20(29)18-4-2-10-28(18)21(30)22(25)8-7-14-3-1-9-26-19(14)22/h1,3,5-6,9,11,18H,2,4,7-8,10,12-13,24-25H2,(H,27,29)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253016 (US9469608, 44) Show SMILES C[C@]1(CCCN1C(=O)c1ccc(Cl)[nH]1)C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	104	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253007 (US9469608, 35-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1CNc2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O2/c22-15-6-5-13(10-23)14(9-15)11-25-20(27)19-7-8-26(19)21(28)17-12-24-18-4-2-1-3-16(17)18/h1-6,9,17,19,24H,7-8,10-12,23H2,(H,25,27)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252975 (US9469608, 2-11) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253014 (US9469608, 42-3) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ncccn1 |r| Show InChI InChI=1S/C18H20ClN5O2/c19-14-5-4-12(10-20)13(9-14)11-23-17(25)15-3-1-8-24(15)18(26)16-21-6-2-7-22-16/h2,4-7,9,15H,1,3,8,10-11,20H2,(H,23,25)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	260	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252997 (US9469608, 26-12) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1(O)CCc2ncccc12 |r| Show InChI InChI=1S/C21H23ClN4O3/c22-15-4-3-13(11-23)14(10-15)12-25-19(27)18-6-9-26(18)20(28)21(29)7-5-17-16(21)2-1-8-24-17/h1-4,8,10,18,29H,5-7,9,11-12,23H2,(H,25,27)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	325	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252992 (US9469608, 22-10) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1c2ccccc2CS1(=O)=O |r| Show InChI InChI=1S/C22H24ClN3O4S/c23-17-8-7-14(11-24)16(10-17)12-25-21(27)19-6-3-9-26(19)22(28)20-18-5-2-1-4-15(18)13-31(20,29)30/h1-2,4-5,7-8,10,19-20H,3,6,9,11-13,24H2,(H,25,27)/t19-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253015 (US9469608, 43) Show SMILES C[C@]1(CCCN1C(=O)[C@H]1CCC(=O)N1)C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H25ClN4O3/c1-19(7-2-8-24(19)17(26)15-5-6-16(25)23-15)18(27)22-11-13-9-14(20)4-3-12(13)10-21/h3-4,9,15H,2,5-8,10-11,21H2,1H3,(H,22,27)(H,23,25)/t15-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	526	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253009 (US9469608, 37-11a) Show SMILES CC1(C)C[C@@]1(O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r| Show InChI InChI=1S/C19H26ClN3O3/c1-18(2)11-19(18,26)17(25)23-7-3-4-15(23)16(24)22-10-13-8-14(20)6-5-12(13)9-21/h5-6,8,15,26H,3-4,7,9-11,21H2,1-2H3,(H,22,24)/t15-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	720	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252988 (US9469608, 17-5) Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CO |r| Show InChI InChI=1S/C19H27ClN2O4/c1-19(2,3)16(24)18(26)22-8-4-5-15(22)17(25)21-10-13-9-14(20)7-6-12(13)11-23/h6-7,9,15-16,23-24H,4-5,8,10-11H2,1-3H3,(H,21,25)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair