BDBM50006671 CHEMBL3236294

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](C)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

InChI Key: InChIKey=NWTPPDRHRZTMSO-ZSWDWUKGSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006671   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50006671 (CHEMBL3236294) 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](C)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/C79H109N17O26/c1-37(2)27-51(71(114)83-41(7)69(112)95-59(36-97)65(80)108)88-67(110)40(6)84-73(116)53(29-45-19-13-11-14-20-45)91-74(117)55(31-47-35-81-49-24-18-17-23-48(47)49)93-70(113)50(25-26-60(100)101)87-66(109)39(5)82-72(115)52(28-38(3)4)90-77(120)58(34-63(106)107)94-76(119)57(33-62(104)105)89-68(111)42(8)85-79(122)64(43(9)98)96-78(121)54(30-46-21-15-12-16-22-46)92-75(118)56(32-61(102)103)86-44(10)99/h11-24,35,37-43,50-59,64,81,97-98H,25-34,36H2,1-10H3,(H2,80,108)(H,82,115)(H,83,114)(H,84,116)(H,85,122)(H,86,99)(H,87,109)(H,88,110)(H,89,111)(H,90,120)(H,91,117)(H,92,118)(H,93,113)(H,94,119)(H,95,112)(H,96,121)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t39-,40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80E+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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