Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50009198   

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))	BDBM50081157 ((S)-1-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...) Show SMILES CCOC(=O)[C@@]1(CCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H34N6O7S/c1-2-36-21(33)23(27-37(34,35)15-16-8-4-3-5-9-16)11-7-12-28(20(23)32)14-18(30)26-17-10-6-13-29(19(17)31)22(24)25/h3-5,8-9,17,19,27,31H,2,6-7,10-15H2,1H3,(H3,24,25)(H,26,30)/t17-,19?,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Evaluation of inhibition of transition state thrombin				Bioorg Med Chem Lett 9: 2625-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D3W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081158 (2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Evaluation of inhibition of transition state thrombin				Bioorg Med Chem Lett 9: 2625-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D3W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071693 (CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Evaluation of inhibition of transition state thrombin				Bioorg Med Chem Lett 9: 2625-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D3W
					More data for this Ligand-Target Pair