Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EH domain-containing protein 1' and Ligand = 'BDBM50453872'   

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
EH domain-containing protein 1 (Homo sapiens)	BDBM50453872 (CHEMBL4209370) Show SMILES NC(=O)C[C@@H]1NC(=O)N[C@H](CSCc2cccc(CSCCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C1=O)c2)NC(=O)CCC#C |r| Show InChI InChI=1S/C46H59N9O12S2/c1-2-3-14-38(57)53-37-27-69-26-30-12-7-11-29(22-30)25-68-21-19-48-41(62)31(15-17-39(58)59)49-42(63)32(16-18-40(60)61)50-43(64)33(23-28-9-5-4-6-10-28)51-44(65)35-13-8-20-55(35)45(66)34(24-36(47)56)52-46(67)54-37/h1,4-7,9-12,22,31-35,37H,3,8,13-21,23-27H2,(H2,47,56)(H,48,62)(H,49,63)(H,50,64)(H,51,65)(H,53,57)(H,58,59)(H,60,61)(H2,52,54,67)/t31-,32-,33-,34-,35-,37+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretrea...				Bioorg Med Chem 26: 1206-1211 (2018) Article DOI: 10.1016/j.bmc.2017.09.007 BindingDB Entry DOI: 10.7270/Q2CN76G0
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