Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50072445'   

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))	BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity towards thrombin obtained from human purified enzymes.				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity towards thrombin obtained from human purified enzymes.				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity towards thrombin obtained from human purified enzymes.				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C26H25N5O6S/c1-36-23(32)15-26(14-21(31-37-26)17-5-4-6-18(13-17)24(27)28)25(33)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)38(29,34)35/h2-13H,14-15H2,1H3,(H3,27,28)(H,30,33)(H2,29,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity towards thrombin obtained from human purified enzymes.				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair