Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50079896'   

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))	BDBM50079896 (CHEMBL3415210) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H29FN6O4/c1-3-34-24-10-8-18(28(38)35(12-11-26(36)37)19-5-4-6-20(15-19)39-2)14-23(24)33-25(34)16-32-22-9-7-17(27(30)31)13-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	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
Prothrombin (Homo sapiens (Human))	BDBM50079896 (CHEMBL3415210) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H29FN6O4/c1-3-34-24-10-8-18(28(38)35(12-11-26(36)37)19-5-4-6-20(15-19)39-2)14-23(24)33-25(34)16-32-22-9-7-17(27(30)31)13-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	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))	BDBM50079896 (CHEMBL3415210) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H29FN6O4/c1-3-34-24-10-8-18(28(38)35(12-11-26(36)37)19-5-4-6-20(15-19)39-2)14-23(24)33-25(34)16-32-22-9-7-17(27(30)31)13-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	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