Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenomatous polyposis coli protein' and Ligand = 'BDBM50369202'   

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
Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50369202 (CHEMBL4175628) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C48H56N8O15/c1-27(51-48(70)71-26-29-8-3-2-4-9-29)43(65)50-24-39(59)52-35(19-21-41(62)63)44(66)56-38(25-57)47(69)55-37(23-31-12-7-11-30-10-5-6-13-33(30)31)46(68)54-36(22-28-14-16-32(58)17-15-28)45(67)53-34(42(49)64)18-20-40(60)61/h2-17,27,34-38,57-58H,18-26H2,1H3,(H2,49,64)(H,50,65)(H,51,70)(H,52,59)(H,53,67)(H,54,68)(H,55,69)(H,56,66)(H,60,61)(H,62,63)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by...				J Med Chem 61: 8017-8028 (2018) Article DOI: 10.1021/acs.jmedchem.8b01112 BindingDB Entry DOI: 10.7270/Q2V69N4H
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