Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50071693'   

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))	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
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	Article	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human thrombin enzyme was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
					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	Article	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against Coagulation factor II				Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91
					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	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against thrombin (FIIa)				Bioorg Med Chem Lett 8: 2501-6 (1999) BindingDB Entry DOI: 10.7270/Q28C9VCK
					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	Article	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) by 50%				Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850
					More data for this Ligand-Target Pair