Compile Data Set for Download or QSAR

Found 2559 hits with Last Name = 'de man' and Initial = 'ap'   

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))	BDBM50118719 (7-Amino-3-{[1-(2-amino-3-cyclohexyl-propionyl)-pyr...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)C(O)=O Show InChI InChI=1S/C21H36N4O5/c22-11-5-4-9-16(18(26)21(29)30)24-19(27)17-10-6-12-25(17)20(28)15(23)13-14-7-2-1-3-8-14/h14-17H,1-13,22-23H2,(H,24,27)(H,29,30)/t15-,16+,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118730 (7-Amino-3-(2-{[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCC1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C25H42N4O7/c26-13-7-6-12-19(23(33)25(35)36)28-21(30)16-29(18-10-4-5-11-18)24(34)20(27-15-22(31)32)14-17-8-2-1-3-9-17/h17-20,27H,1-16,26H2,(H,28,30)(H,31,32)(H,35,36)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118739 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C23H38N4O7/c24-11-5-4-9-16(20(30)23(33)34)26-21(31)18-10-6-12-27(18)22(32)17(25-14-19(28)29)13-15-7-2-1-3-8-15/h15-18,25H,1-14,24H2,(H,26,31)(H,28,29)(H,33,34)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118728 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C24H40N4O7/c25-12-6-4-10-17(21(31)24(34)35)27-22(32)19-11-5-7-13-28(19)23(33)18(26-15-20(29)30)14-16-8-2-1-3-9-16/h16-19,26H,1-15,25H2,(H,27,32)(H,29,30)(H,34,35)/t17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118732 (1-(2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carbo...) Show SMILES NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C23H31N7O3S/c24-16(14-15-6-2-1-3-7-15)22(33)30-12-5-9-18(30)20(32)29-17(8-4-10-28-23(25)26)19(31)21-27-11-13-34-21/h1-3,6-7,11,13,16-18H,4-5,8-10,12,14,24H2,(H,29,32)(H4,25,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118729 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C=CCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O |c:10| Show InChI InChI=1S/C23H36N4O7/c24-11-5-4-9-16(20(30)23(33)34)26-21(31)18-10-6-12-27(18)22(32)17(25-14-19(28)29)13-15-7-2-1-3-8-15/h6,10,15-18,25H,1-5,7-9,11-14,24H2,(H,26,31)(H,28,29)(H,33,34)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118731 ((2-{2-[5-Amino-1-(oxazole-2-carbonyl)-pentylcarbam...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)c1ncco1 Show InChI InChI=1S/C25H39N5O6/c26-11-5-4-9-18(22(33)24-27-12-14-36-24)29-23(34)20-10-6-13-30(20)25(35)19(28-16-21(31)32)15-17-7-2-1-3-8-17/h12,14,17-20,28H,1-11,13,15-16,26H2,(H,29,34)(H,31,32)/t18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118735 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C22H36N4O7/c23-10-5-4-8-15(19(29)22(32)33)25-20(30)17-9-11-26(17)21(31)16(24-13-18(27)28)12-14-6-2-1-3-7-14/h14-17,24H,1-13,23H2,(H,25,30)(H,27,28)(H,32,33)/t15-,16+,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118738 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(O)=O Show InChI InChI=1S/C27H44N4O7/c28-13-7-6-11-19(24(34)27(37)38)30-25(35)22-15-18-10-4-5-12-21(18)31(22)26(36)20(29-16-23(32)33)14-17-8-2-1-3-9-17/h17-22,29H,1-16,28H2,(H,30,35)(H,32,33)(H,37,38)/t18?,19-,20+,21?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118718 (CHEMBL343804 | {2-[2-(5-Amino-1-phenethylaminooxal...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H47N5O6/c32-17-8-7-14-24(28(39)30(41)33-18-16-22-10-3-1-4-11-22)35-29(40)26-15-9-19-36(26)31(42)25(34-21-27(37)38)20-23-12-5-2-6-13-23/h1,3-4,10-11,23-26,34H,2,5-9,12-21,32H2,(H,33,41)(H,35,40)(H,37,38)/t24-,25+,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118723 (CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-1=O)-[#7]-[#6]=O |r,t:24| Show InChI InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118727 (2-((R)-1-((S)-2-(((S)-7-amino-1-isopropoxy-1,2-dio...) Show SMILES CC(C)OC(=O)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C26H44N4O7/c1-17(2)37-26(36)23(33)19(11-6-7-13-27)29-24(34)21-12-8-14-30(21)25(35)20(28-16-22(31)32)15-18-9-4-3-5-10-18/h17-21,28H,3-16,27H2,1-2H3,(H,29,34)(H,31,32)/t19-,20+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118720 (7-Amino-3-{[1-(2-amino-3-phenyl-propionyl)-pyrroli...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C21H30N4O5/c22-11-5-4-9-16(18(26)21(29)30)24-19(27)17-10-6-12-25(17)20(28)15(23)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,24,27)(H,29,30)/t15-,16+,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118717 ((S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-y...) Show SMILES CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nccs1 Show InChI InChI=1S/C25H41N5O5S2/c1-2-37(34,35)29-20(17-18-9-4-3-5-10-18)25(33)30-15-8-12-21(30)23(32)28-19(11-6-7-13-26)22(31)24-27-14-16-36-24/h14,16,18-21,29H,2-13,15,17,26H2,1H3,(H,28,32)/t19-,20+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50118737 ((2-{2-[5-Amino-1-(thiazole-2-carbonyl)-pentylcarba...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)c1nccs1 Show InChI InChI=1S/C25H39N5O5S/c26-11-5-4-9-18(22(33)24-27-12-14-36-24)29-23(34)20-10-6-13-30(20)25(35)19(28-16-21(31)32)15-17-7-2-1-3-8-17/h12,14,17-20,28H,1-11,13,15-16,26H2,(H,29,34)(H,31,32)/t18-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118721 ((S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-y...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1 Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h12,14,16-19H,1-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118722 (2-Amino-N-{[5-amino-1-(thiazole-2-carbonyl)-pentyl...) Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1 Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-8-19(21(30)22-26-12-13-32-22)27-20(29)15-28(17-9-10-17)23(31)18(25)14-16-6-2-1-3-7-16/h12-13,16-19H,1-11,14-15,24-25H2,(H,27,29)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073316 (CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description The inhibitory activity of the compound was tested against thrombin (IIa)				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50118725 (7-Amino-3-{[1-(3-carboxy-2-phenylmethanesulfonylam...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NS(=O)(=O)Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C23H32N4O9S/c24-11-5-4-9-16(20(30)23(33)34)25-21(31)18-10-6-12-27(18)22(32)17(13-19(28)29)26-37(35,36)14-15-7-2-1-3-8-15/h1-3,7-8,16-18,26H,4-6,9-14,24H2,(H,25,31)(H,28,29)(H,33,34)/t16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118734 (6-Amino-2-[2-(5-{[1-(2-amino-3-phenyl-propionyl)-p...) Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H55N9O7/c39-20-8-7-15-29(37(53)54)46-34(50)30(24-26-13-5-2-6-14-26)44-33(49)19-18-32(48)28(16-9-21-43-38(41)42)45-35(51)31-17-10-22-47(31)36(52)27(40)23-25-11-3-1-4-12-25/h1-6,11-14,27-31H,7-10,15-24,39-40H2,(H,44,49)(H,45,51)(H,46,50)(H,53,54)(H4,41,42,43)/t27-,28+,29+,30+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118724 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C23H31N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h1-3,7-8,12,14,17-19H,4-6,9-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118716 ((S)-1-(3,3-diphenyl-propionyl)-pyrrolidine-2-carbo...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H34N4O3S/c30-16-8-7-14-24(27(35)29-31-17-19-37-29)32-28(36)25-15-9-18-33(25)26(34)20-23(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,10-13,17,19,23-25H,7-9,14-16,18,20,30H2,(H,32,36)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118715 (7-Amino-3-({1-[2-(carboxymethyl-amino)-3-cyclohexy...) Show SMILES CC1(C)CCN([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)C(O)=O)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C25H42N4O7/c1-25(2)11-13-29(21(25)22(33)28-17(10-6-7-12-26)20(32)24(35)36)23(34)18(27-15-19(30)31)14-16-8-4-3-5-9-16/h16-18,21,27H,3-15,26H2,1-2H3,(H,28,33)(H,30,31)(H,35,36)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50073316 (CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	675	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Scientific Development Group Curated by ChEMBL					Assay Description The inhibitory activity of the compound was tested against trypsin				Bioorg Med Chem Lett 8: 3603-8 (1999) BindingDB Entry DOI: 10.7270/Q20P0Z5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50118714 (7-Methoxy-naphthalene-2-sulfonic acid [5-amino-1-(...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H](CCCCN)C(=O)c1nccs1 Show InChI InChI=1S/C20H23N3O4S2/c1-27-16-7-5-14-6-8-17(13-15(14)12-16)29(25,26)23-18(4-2-3-9-21)19(24)20-22-10-11-28-20/h5-8,10-13,18,23H,2-4,9,21H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118733 (1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carboxyli...) Show SMILES OCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H33N3O4S/c33-18-8-7-14-24(27(35)29-30-16-19-37-29)31-28(36)25-15-9-17-32(25)26(34)20-23(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,10-13,16,19,23-25,33H,7-9,14-15,17-18,20H2,(H,31,36)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118726 (CHEMBL334701 | N-[5-Amino-1-(thiazole-2-carbonyl)-...) Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C1Cc2ccccc2C1)C(=O)c1nccs1 Show InChI InChI=1S/C23H30N4O2S/c24-10-4-3-7-20(22(29)23-25-11-12-30-23)26-21(28)15-27(18-8-9-18)19-13-16-5-1-2-6-17(16)14-19/h1-2,5-6,11-12,18-20H,3-4,7-10,13-15,24H2,(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50118736 (7-Methoxy-naphthalene-2-sulfonic acid [5-amino-1-(...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H](CCCCN)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C23H33N3O4S/c1-17-10-13-26(14-11-17)23(27)22(5-3-4-12-24)25-31(28,29)21-9-7-18-6-8-20(30-2)15-19(18)16-21/h6-9,15-17,22,25H,3-5,10-14,24H2,1-2H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532308 (JDM666A | N-(2,6-dimethylphenyl-2-[4-[4-[2-ethylam...) Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(C)cccc2C)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532304 (JDM697A | N-[1-[2-(2-ethoxyethoxy)ethyl]-3,5-dieth...) Show SMILES CCOCCOCCn1nc(CC)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(CC4)C(=O)COC)nc-32)c1CC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532306 (JDM703A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)...) Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(CC)nn(CCOCCOCCOC)c2CC)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532294 (JDM0684A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy...) Show SMILES CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)COC)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532285 (N-(2,6-diethylphenyl)-8-(2-methoxy-4-piperazin-1-y...) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCNCC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532289 (JGS439C | N-(2,6-dimethylphenyl)-2-[2-methoxy-4-(t...) Show SMILES COc1cc(ccc1Nc1ncc2CCc3c(ccn3-c2n1)C(=O)Nc1c(C)cccc1C)C(=O)NC1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532292 (JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM258443 (US11208696, Example 6 | US9512130, 1) Show SMILES COc1ccc(Oc2cc(NCC3COC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F Show InChI InChI=1S/C28H28FN5O4/c1-16-9-18(3-7-21(16)28(35)32-19-4-5-19)24-13-31-27-23(30-12-17-14-37-15-17)11-26(33-34(24)27)38-20-6-8-25(36-2)22(29)10-20/h3,6-11,13,17,19,30H,4-5,12,14-15H2,1-2H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532301 (JDM677A | N-[1-[2-[2-(2-methoxyethoxy)ethoxyethyl]...) Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(CC4)C(=O)COC)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50349102 (CHEMBL1236095 | US11208696, Example 3) Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM258445 (US11208696, Example 5 | US9512130, 3) Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI InChI=1S/C30H31F2N5O4/c1-17-13-19(3-6-21(17)30(38)35-20-4-5-20)23-16-34-29-22(33-15-18-9-11-40-12-10-18)14-26(36-37(23)29)41-25-8-7-24(39-2)27(31)28(25)32/h3,6-8,13-14,16,18,20,33H,4-5,9-12,15H2,1-2H3,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532307 (2-[4-[4-[(2R)-azetidine-2-carbonyl]piperazin-1-yl]...) Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)[C@H]3CCN3)nc-21 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532288 (N-(2,6-dimethylphenyl)-2-(2-methyl-4-piperazin-1-y...) Show SMILES Cc1cccc(C)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3C)N3CCNCC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532303 (JDM713A | N-[3,5-diethyl-1-[2-(2-methoxyethoxy)eth...) Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(CC)nn(CCOCCOCC)c2CC)c(OC)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532290 (JDM0641A | N-[1-[2-[2-(2-methoxyethoxyethoxy]ethyl...) Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)-c4c(C)nn(C)c4C)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532309 (JGS0715B | N-cyclopropyl-4-[6-(2,3-difluoro-4-meth...) Show SMILES COc1ccc(Oc2nc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532305 (JDM636A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)...) Show SMILES CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532291 (JDM0443A | N-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethy...) Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-32)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532302 (JDM711A | N-[3,5-diethyl-1-[2-(2-methoxyethoxy eth...) Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)C3(C)CNC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532293 (N-(3,5-diethyl-1H-pyrazol-4-yl)-2-[2-(difluorometh...) Show SMILES CCc1n[nH]c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC(F)F)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474F22
					More data for this Ligand-Target Pair

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