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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 = 'BDBM50000163'   
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))		BDBM50000163
PNG
(CHEMBL386716 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(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/C44H68N10O15S/c1-9-22(6)36(43(67)51-28(16-32(45)57)39(63)50-29(17-34(59)60)40(64)52-30(44(68)69)14-20(2)3)54-42(66)35(21(4)5)53-41(65)31(19-70)49-33(58)18-46-37(61)23(7)47-38(62)27(48-24(8)55)15-25-10-12-26(56)13-11-25/h10-13,20-23,27-31,35-36,56,70H,9,14-19H2,1-8H3,(H2,45,57)(H,46,61)(H,47,62)(H,48,55)(H,49,58)(H,50,63)(H,51,67)(H,52,64)(H,53,65)(H,54,66)(H,59,60)(H,68,69)/t22-,23+,27+,28+,29+,30+,31+,35+,36+/m1/s1
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PubMed
n/an/a 3.90E+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