BDBM50000159 CHEMBL331824::Ribonucleotide reductase inhibiting peptide analogue

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=NFVXZGLFAMYBLB-QMOADERGSA-N

Data: 1 IC50

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 = 50000159   

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
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human))	BDBM50000159 (CHEMBL331824 | Ribonucleotide reductase inhibiting...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C45H68I2N10O16/c1-10-20(6)35(43(70)53-28(15-31(48)60)40(67)52-29(16-33(62)63)41(68)54-30(45(72)73)11-18(2)3)57-42(69)34(19(4)5)56-44(71)36(22(8)58)55-32(61)17-49-38(65)21(7)50-39(66)27(51-23(9)59)14-24-12-25(46)37(64)26(47)13-24/h12-13,18-22,27-30,34-36,58,64H,10-11,14-17H2,1-9H3,(H2,48,60)(H,49,65)(H,50,66)(H,51,59)(H,52,67)(H,53,70)(H,54,68)(H,55,61)(H,56,71)(H,57,69)(H,62,63)(H,72,73)/t20-,21+,22-,27+,28+,29+,30+,34+,35+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding				J Med Chem 35: 346-50 (1992) BindingDB Entry DOI: 10.7270/Q2348JB2
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