Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replication protein A 70 kDa DNA-binding subunit' and Ligand = 'BDBM50006658'   

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
Replication protein A 70 kDa DNA-binding subunit (Homo sapiens (Human))	BDBM50006658 (CHEMBL3235924) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C72H110N16O30/c1-30(2)22-42(63(109)75-34(8)59(105)74-33(7)58(73)104)86-72(118)57(37(11)90)88-70(116)49(29-55(102)103)85-65(111)44(24-32(5)6)81-62(108)41(19-21-51(94)95)78-61(107)40(18-20-50(92)93)79-64(110)43(23-31(3)4)82-68(114)48(28-54(100)101)84-67(113)47(27-53(98)99)80-60(106)35(9)76-71(117)56(36(10)89)87-69(115)45(25-39-16-14-13-15-17-39)83-66(112)46(26-52(96)97)77-38(12)91/h13-17,30-37,40-49,56-57,89-90H,18-29H2,1-12H3,(H2,73,104)(H,74,105)(H,75,109)(H,76,117)(H,77,91)(H,78,107)(H,79,110)(H,80,106)(H,81,108)(H,82,114)(H,83,112)(H,84,113)(H,85,111)(H,86,118)(H,87,115)(H,88,116)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...				J Med Chem 57: 2455-61 (2014) Article DOI: 10.1021/jm401730y BindingDB Entry DOI: 10.7270/Q29888H7
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