Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50046760   

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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer anal...				Bioorg Med Chem 23: 7405-16 (2015) Article DOI: 10.1016/j.bmc.2015.10.036 BindingDB Entry DOI: 10.7270/Q2V126NG
					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	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer anal...				Bioorg Med Chem 23: 7405-16 (2015) Article DOI: 10.1016/j.bmc.2015.10.036 BindingDB Entry DOI: 10.7270/Q2V126NG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50130034 (CHEMBL3629082) Show SMILES NC(=N)c1ccc(CC2NCCn3c2nc2cc(ccc32)C(=O)N(CCC(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H28N6O3/c29-26(30)19-8-6-18(7-9-19)16-23-27-32-22-17-20(10-11-24(22)34(27)15-13-31-23)28(37)33(14-12-25(35)36)21-4-2-1-3-5-21/h1-11,17,23,31H,12-16H2,(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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer anal...				Bioorg Med Chem 23: 7405-16 (2015) Article DOI: 10.1016/j.bmc.2015.10.036 BindingDB Entry DOI: 10.7270/Q2V126NG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50130033 (CHEMBL3628001) Show SMILES NC(=N)c1ccc(CC2NCCn3c2nc2cc(ccc32)C(=O)N(CCC(O)=O)c2ccccn2)cc1 Show InChI InChI=1S/C27H27N7O3/c28-25(29)18-6-4-17(5-7-18)15-21-26-32-20-16-19(8-9-22(20)33(26)14-12-30-21)27(37)34(13-10-24(35)36)23-3-1-2-11-31-23/h1-9,11,16,21,30H,10,12-15H2,(H3,28,29)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer anal...				Bioorg Med Chem 23: 7405-16 (2015) Article DOI: 10.1016/j.bmc.2015.10.036 BindingDB Entry DOI: 10.7270/Q2V126NG
					More data for this Ligand-Target Pair