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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 = 'BDBM50000153'   
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))		BDBM50000153
PNG
(CHEMBL386066 | 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(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/C45H70N10O17/c1-9-22(6)36(43(69)50-28(16-32(46)60)40(66)49-29(17-34(62)63)41(67)51-30(45(71)72)14-20(2)3)55-42(68)35(21(4)5)54-44(70)37(23(7)57)53-33(61)18-47-38(64)31(19-56)52-39(65)27(48-24(8)58)15-25-10-12-26(59)13-11-25/h10-13,20-23,27-31,35-37,56-57,59H,9,14-19H2,1-8H3,(H2,46,60)(H,47,64)(H,48,58)(H,49,66)(H,50,69)(H,51,67)(H,52,65)(H,53,61)(H,54,70)(H,55,68)(H,62,63)(H,71,72)/t22-,23-,27+,28+,29+,30+,31+,35+,36+,37+/m1/s1
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration 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