Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50079895'   

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))	BDBM50079895 (CHEMBL3415211) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079895 (CHEMBL3415211) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114035 BindingDB Entry DOI: 10.7270/Q2Q52TMM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079895 (CHEMBL3415211) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair