Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'dong' and Initial = 'mh'   

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))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168129 (CHEMBL3799876) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1c(C)cccc1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-24-11-9-20(29(39)36(13-12-26(37)38)27-17(2)6-5-7-18(27)3)15-23(24)34-25(35)16-33-22-10-8-19(28(31)32)14-21(22)30/h5-11,14-15,33H,4,12-13,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168129 (CHEMBL3799876) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1c(C)cccc1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-24-11-9-20(29(39)36(13-12-26(37)38)27-17(2)6-5-7-18(27)3)15-23(24)34-25(35)16-33-22-10-8-19(28(31)32)14-21(22)30/h5-11,14-15,33H,4,12-13,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500077 (CHEMBL3742405) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H25ClF2N6O3/c1-2-35-23-8-4-16(27(39)36(10-9-25(37)38)17-5-6-19(29)18(28)13-17)12-22(23)34-24(35)14-33-21-7-3-15(26(31)32)11-20(21)30/h3-8,11-13,33H,2,9-10,14H2,1H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168135 (CHEMBL3799750) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)n1 Show InChI InChI=1S/C27H28FN7O3/c1-3-34-22-10-8-18(27(38)35(12-11-25(36)37)23-6-4-5-16(2)32-23)14-21(22)33-24(34)15-31-20-9-7-17(26(29)30)13-19(20)28/h4-10,13-14,31H,3,11-12,15H2,1-2H3,(H3,29,30)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168135 (CHEMBL3799750) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)n1 Show InChI InChI=1S/C27H28FN7O3/c1-3-34-22-10-8-18(27(38)35(12-11-25(36)37)23-6-4-5-16(2)32-23)14-21(22)33-24(34)15-31-20-9-7-17(26(29)30)13-19(20)28/h4-10,13-14,31H,3,11-12,15H2,1-2H3,(H3,29,30)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50432209 (BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...) Show SMILES CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 |w:9.8| Show InChI InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50432209 (BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...) Show SMILES CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 |w:9.8| Show InChI InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168132 (CHEMBL3798146) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1F Show InChI InChI=1S/C27H25F3N6O3/c1-2-35-23-7-4-16(27(39)36(10-9-25(37)38)22-8-5-17(28)13-19(22)30)12-21(23)34-24(35)14-33-20-6-3-15(26(31)32)11-18(20)29/h3-8,11-13,33H,2,9-10,14H2,1H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079891 (CHEMBL3415214) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H25FN6O3/c1-32-22-11-8-17(26(36)33(13-12-24(34)35)21-5-3-2-4-19(21)27)14-20(22)31-23(32)15-30-18-9-6-16(7-10-18)25(28)29/h2-11,14,30H,12-13,15H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168132 (CHEMBL3798146) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1F Show InChI InChI=1S/C27H25F3N6O3/c1-2-35-23-7-4-16(27(39)36(10-9-25(37)38)22-8-5-17(28)13-19(22)30)12-21(23)34-24(35)14-33-20-6-3-15(26(31)32)11-18(20)29/h3-8,11-13,33H,2,9-10,14H2,1H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079891 (CHEMBL3415214) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H25FN6O3/c1-32-22-11-8-17(26(36)33(13-12-24(34)35)21-5-3-2-4-19(21)27)14-20(22)31-23(32)15-30-18-9-6-16(7-10-18)25(28)29/h2-11,14,30H,12-13,15H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079890 (CHEMBL3415215) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C26H26FN7O3/c1-2-33-21-9-7-17(26(37)34(12-10-24(35)36)22-5-3-4-11-30-22)14-20(21)32-23(33)15-31-19-8-6-16(25(28)29)13-18(19)27/h3-9,11,13-14,31H,2,10,12,15H2,1H3,(H3,28,29)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079890 (CHEMBL3415215) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C26H26FN7O3/c1-2-33-21-9-7-17(26(37)34(12-10-24(35)36)22-5-3-4-11-30-22)14-20(21)32-23(33)15-31-19-8-6-16(25(28)29)13-18(19)27/h3-9,11,13-14,31H,2,10,12,15H2,1H3,(H3,28,29)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079958 (CHEMBL3415062) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H24FN7O3/c1-32-20-8-6-16(25(36)33(11-9-23(34)35)21-4-2-3-10-29-21)13-19(20)31-22(32)14-30-18-7-5-15(24(27)28)12-17(18)26/h2-8,10,12-13,30H,9,11,14H2,1H3,(H3,27,28)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500060 (CHEMBL3740288) Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-12-9-18(27(37)34(14-13-25(35)36)22-6-4-3-5-20(22)28)15-21(23)32-24(33)16-31-19-10-7-17(8-11-19)26(29)30/h3-12,15,31H,2,13-14,16H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079958 (CHEMBL3415062) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H24FN7O3/c1-32-20-8-6-16(25(36)33(11-9-23(34)35)21-4-2-3-10-29-21)13-19(20)31-22(32)14-30-18-7-5-15(24(27)28)12-17(18)26/h2-8,10,12-13,30H,9,11,14H2,1H3,(H3,27,28)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079897 (CHEMBL3415209) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-8-17(27(38)35(12-11-25(36)37)22-6-4-3-5-18(22)28)14-21(23)33-24(34)15-32-20-9-7-16(26(30)31)13-19(20)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079897 (CHEMBL3415209) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-8-17(27(38)35(12-11-25(36)37)22-6-4-3-5-18(22)28)14-21(23)33-24(34)15-32-20-9-7-16(26(30)31)13-19(20)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168134 (CHEMBL3741532) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cc(C)ccn1 Show InChI InChI=1S/C27H28FN7O3/c1-3-34-22-7-5-18(27(38)35(11-9-25(36)37)23-12-16(2)8-10-31-23)14-21(22)33-24(34)15-32-20-6-4-17(26(29)30)13-19(20)28/h4-8,10,12-14,32H,3,9,11,15H2,1-2H3,(H3,29,30)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168134 (CHEMBL3741532) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cc(C)ccn1 Show InChI InChI=1S/C27H28FN7O3/c1-3-34-22-7-5-18(27(38)35(11-9-25(36)37)23-12-16(2)8-10-31-23)14-21(22)33-24(34)15-32-20-6-4-17(26(29)30)13-19(20)28/h4-8,10,12-14,32H,3,9,11,15H2,1-2H3,(H3,29,30)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500063 (CHEMBL3740928) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-4-16(26(37)34(11-10-24(35)36)18-7-8-19(27)20(28)13-18)12-21(22)32-23(33)14-31-17-5-2-15(3-6-17)25(29)30/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500063 (CHEMBL3740928) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-4-16(26(37)34(11-10-24(35)36)18-7-8-19(27)20(28)13-18)12-21(22)32-23(33)14-31-17-5-2-15(3-6-17)25(29)30/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168131 (CHEMBL3800608) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(C)c1 Show InChI InChI=1S/C28H28F2N6O3/c1-3-35-24-9-5-18(28(39)36(11-10-26(37)38)19-6-7-20(29)16(2)12-19)14-23(24)34-25(35)15-33-22-8-4-17(27(31)32)13-21(22)30/h4-9,12-14,33H,3,10-11,15H2,1-2H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168131 (CHEMBL3800608) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(C)c1 Show InChI InChI=1S/C28H28F2N6O3/c1-3-35-24-9-5-18(28(39)36(11-10-26(37)38)19-6-7-20(29)16(2)12-19)14-23(24)34-25(35)15-33-22-8-4-17(27(31)32)13-21(22)30/h4-9,12-14,33H,3,10-11,15H2,1-2H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500086 (CHEMBL3741212) Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-12-5-18(27(37)34(14-13-25(35)36)21-10-6-19(28)7-11-21)15-22(23)32-24(33)16-31-20-8-3-17(4-9-20)26(29)30/h3-12,15,31H,2,13-14,16H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079967 (CHEMBL3415059) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-8-6-16(26(37)34(10-9-24(35)36)18-4-2-3-17(27)13-18)12-21(22)32-23(33)14-31-20-7-5-15(25(29)30)11-19(20)28/h2-8,11-13,31H,9-10,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079967 (CHEMBL3415059) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-8-6-16(26(37)34(10-9-24(35)36)18-4-2-3-17(27)13-18)12-21(22)32-23(33)14-31-20-7-5-15(25(29)30)11-19(20)28/h2-8,11-13,31H,9-10,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079969 (CHEMBL3415058) Show SMILES COc1cccc(c1)N(CCC(O)=O)C(=O)c1ccc2n(C)c(CNc3ccc(cc3F)C(N)=N)nc2c1 Show InChI InChI=1S/C27H27FN6O4/c1-33-23-9-7-17(27(37)34(11-10-25(35)36)18-4-3-5-19(14-18)38-2)13-22(23)32-24(33)15-31-21-8-6-16(26(29)30)12-20(21)28/h3-9,12-14,31H,10-11,15H2,1-2H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079969 (CHEMBL3415058) Show SMILES COc1cccc(c1)N(CCC(O)=O)C(=O)c1ccc2n(C)c(CNc3ccc(cc3F)C(N)=N)nc2c1 Show InChI InChI=1S/C27H27FN6O4/c1-33-23-9-7-17(27(37)34(11-10-25(35)36)18-4-3-5-19(14-18)38-2)13-22(23)32-24(33)15-31-21-8-6-16(26(29)30)12-20(21)28/h3-9,12-14,31H,10-11,15H2,1-2H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079895 (CHEMBL3415211) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079970 (CHEMBL3415057) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-7-16(26(37)34(11-10-24(35)36)21-5-3-2-4-17(21)27)13-20(22)32-23(33)14-31-19-8-6-15(25(29)30)12-18(19)28/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079893 (CHEMBL3414580) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-4-17(27(38)35(12-11-25(36)37)19-7-5-18(28)6-8-19)14-22(23)33-24(34)15-32-21-9-3-16(26(30)31)13-20(21)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168125 (CHEMBL3798162) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)c1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-25-11-9-20(29(39)36(13-12-27(37)38)24-7-5-6-17(2)18(24)3)15-23(25)34-26(35)16-33-22-10-8-19(28(31)32)14-21(22)30/h5-11,14-15,33H,4,12-13,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168125 (CHEMBL3798162) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)c1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-25-11-9-20(29(39)36(13-12-27(37)38)24-7-5-6-17(2)18(24)3)15-23(25)34-26(35)16-33-22-10-8-19(28(31)32)14-21(22)30/h5-11,14-15,33H,4,12-13,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079970 (CHEMBL3415057) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-7-16(26(37)34(11-10-24(35)36)21-5-3-2-4-17(21)27)13-20(22)32-23(33)14-31-19-8-6-15(25(29)30)12-18(19)28/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079893 (CHEMBL3414580) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-4-17(27(38)35(12-11-25(36)37)19-7-5-18(28)6-8-19)14-22(23)33-24(34)15-32-21-9-3-16(26(30)31)13-20(21)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079895 (CHEMBL3415211) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500081 (CHEMBL3741603) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H25F3N6O3/c1-35-22-11-8-17(14-20(22)34-23(35)15-33-18-9-6-16(7-10-18)25(31)32)26(39)36(13-12-24(37)38)21-5-3-2-4-19(21)27(28,29)30/h2-11,14,33H,12-13,15H2,1H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500081 (CHEMBL3741603) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H25F3N6O3/c1-35-22-11-8-17(14-20(22)34-23(35)15-33-18-9-6-16(7-10-18)25(31)32)26(39)36(13-12-24(37)38)21-5-3-2-4-19(21)27(28,29)30/h2-11,14,33H,12-13,15H2,1H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079959 (CHEMBL3415061) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-3-16(26(37)34(11-10-24(35)36)18-6-4-17(27)5-7-18)13-21(22)32-23(33)14-31-20-8-2-15(25(29)30)12-19(20)28/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079959 (CHEMBL3415061) Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-3-16(26(37)34(11-10-24(35)36)18-6-4-17(27)5-7-18)13-21(22)32-23(33)14-31-20-8-2-15(25(29)30)12-19(20)28/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50500085 (CHEMBL3740439) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H25FN6O3/c1-32-22-10-7-17(26(36)33(12-11-24(34)35)20-4-2-3-18(27)14-20)13-21(22)31-23(32)15-30-19-8-5-16(6-9-19)25(28)29/h2-10,13-14,30H,11-12,15H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168124 (CHEMBL3797213) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)c1 Show InChI InChI=1S/C28H29FN6O3/c1-3-34-24-10-8-19(28(38)35(12-11-26(36)37)20-6-4-5-17(2)13-20)15-23(24)33-25(34)16-32-22-9-7-18(27(30)31)14-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168124 (CHEMBL3797213) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)c1 Show InChI InChI=1S/C28H29FN6O3/c1-3-34-24-10-8-19(28(38)35(12-11-26(36)37)20-6-4-5-17(2)13-20)15-23(24)33-25(34)16-32-22-9-7-18(27(30)31)14-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168127 (CHEMBL3800637) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cc(C)ccc1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-24-10-8-20(29(39)36(12-11-27(37)38)25-13-17(2)5-6-18(25)3)15-23(24)34-26(35)16-33-22-9-7-19(28(31)32)14-21(22)30/h5-10,13-15,33H,4,11-12,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.038 BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079937 (CHEMBL3415064) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-11-9-18(27(37)34(13-12-25(35)36)19-6-4-3-5-7-19)15-22(23)32-24(33)16-31-21-10-8-17(26(29)30)14-20(21)28/h3-11,14-15,31H,2,12-13,16H2,1H3,(H3,29,30)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair

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