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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large subunit' and Ligand = 'BDBM50000157'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50000157
PNG
(CHEMBL261962 | 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](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@H](C)CC)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/C46H72N10O17/c1-9-22(5)36(43(69)51-29(17-33(47)61)41(67)50-30(18-35(63)64)42(68)52-31(46(72)73)15-21(3)4)55-44(70)37(23(6)10-2)56-45(71)38(24(7)58)54-34(62)19-48-39(65)32(20-57)53-40(66)28(49-25(8)59)16-26-11-13-27(60)14-12-26/h11-14,21-24,28-32,36-38,57-58,60H,9-10,15-20H2,1-8H3,(H2,47,61)(H,48,65)(H,49,59)(H,50,67)(H,51,69)(H,52,68)(H,53,66)(H,54,62)(H,55,70)(H,56,71)(H,63,64)(H,72,73)/t22-,23-,24-,28+,29+,30+,31+,32+,36+,37+,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
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Similars
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair