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 = 'BDBM50006656'   

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))	BDBM50006656 (CHEMBL3236276) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)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](C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C71H108N16O30/c1-30(2)21-41(63(109)73-34(8)60(106)86-49(29-88)57(72)103)79-58(104)33(7)74-64(110)46(26-53(97)98)84-66(112)43(23-32(5)6)81-62(108)40(18-20-51(93)94)77-61(107)39(17-19-50(91)92)78-65(111)42(22-31(3)4)82-69(115)48(28-55(101)102)85-68(114)47(27-54(99)100)80-59(105)35(9)75-71(117)56(36(10)89)87-70(116)44(24-38-15-13-12-14-16-38)83-67(113)45(25-52(95)96)76-37(11)90/h12-16,30-36,39-49,56,88-89H,17-29H2,1-11H3,(H2,72,103)(H,73,109)(H,74,110)(H,75,117)(H,76,90)(H,77,107)(H,78,111)(H,79,104)(H,80,105)(H,81,108)(H,82,115)(H,83,113)(H,84,112)(H,85,114)(H,86,106)(H,87,116)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)/t33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70E+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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