BDBM50006727 CHEMBL3236546

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=ZSVHJCIBZYMUMT-BUKZOLIFSA-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 = 50006727   

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))	BDBM50006727 (CHEMBL3236546) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C83H118N18O29S/c1-8-41(4)67(98-78(125)56(36-65(112)113)94-76(123)55(35-64(110)111)95-79(126)60-21-15-30-101(60)83(130)58(39-102)97-74(121)52(32-40(2)3)91-73(120)51(28-31-131-7)87-43(6)104)80(127)89-49(23-26-62(106)107)70(117)88-48(22-25-61(84)105)71(118)93-54(34-45-38-86-47-19-13-12-18-46(45)47)75(122)92-53(33-44-16-10-9-11-17-44)77(124)99-68(42(5)103)81(128)90-50(24-27-63(108)109)72(119)96-57(37-66(114)115)82(129)100-29-14-20-59(100)69(85)116/h9-13,16-19,38,40-42,48-60,67-68,86,102-103H,8,14-15,20-37,39H2,1-7H3,(H2,84,105)(H2,85,116)(H,87,104)(H,88,117)(H,89,127)(H,90,128)(H,91,120)(H,92,122)(H,93,118)(H,94,123)(H,95,126)(H,96,119)(H,97,121)(H,98,125)(H,99,124)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)/t41-,42+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-,68-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+5	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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