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 = 'BDBM50006667'   

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))	BDBM50006667 (CHEMBL3236290) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)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](C)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](C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C80H111N17O26/c1-38(2)29-53(73(116)84-43(8)70(113)96-60(37-98)66(81)109)90-69(112)42(7)85-74(117)55(31-46-19-13-11-14-20-46)93-76(119)57(33-48-36-82-50-24-18-17-23-49(48)50)95-72(115)52(26-28-62(103)104)88-71(114)51(25-27-61(101)102)89-75(118)54(30-39(3)4)92-78(121)59(35-64(107)108)91-68(111)41(6)83-67(110)40(5)86-80(123)65(44(9)99)97-79(122)56(32-47-21-15-12-16-22-47)94-77(120)58(34-63(105)106)87-45(10)100/h11-24,36,38-44,51-60,65,82,98-99H,25-35,37H2,1-10H3,(H2,81,109)(H,83,110)(H,84,116)(H,85,117)(H,86,123)(H,87,100)(H,88,114)(H,89,118)(H,90,112)(H,91,111)(H,92,121)(H,93,119)(H,94,120)(H,95,115)(H,96,113)(H,97,122)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/t40-,41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	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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