Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-protein thioesterase 1' and Ligand = 'BDBM50543970'   

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
Acyl-protein thioesterase 1 (Rattus norvegicus)	BDBM50543970 (CHEMBL4647532) Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)N4CCN(CCCOc5ccc6nccc(C(=O)NCC(=O)N7CC(F)(F)C[C@H]7C#N)c6c5)CC4)ccc23)c1 |r| Show InChI InChI=1S/C45H39F2N7O8S/c46-44(47)22-27(23-48)54(25-44)40(57)24-50-41(58)31-10-11-49-37-9-5-30(21-32(31)37)60-17-1-12-52-13-15-53(16-14-52)43(63)51-26-2-6-34-33(18-26)42(59)62-45(34)35-7-3-28(55)19-38(35)61-39-20-29(56)4-8-36(39)45/h2-11,18-21,27,55-56H,1,12-17,22,24-25H2,(H,50,58)(H,51,63)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University First Hospital Curated by ChEMBL					Assay Description Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127253 BindingDB Entry DOI: 10.7270/Q2N87FC7
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