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BDBM50050836 (S)-2-{(S)-3-Carboxy-2-[(1-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyryl}-pyrrolidine-2-carbonyl)-amino]-propionylamino}-4-methyl-pentanoic acid::CHEMBL2369480

SMILES: CCC(CC)NC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C

InChI Key: InChIKey=UBWLOPRRHAHAEP-VNYTWHDVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050836   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50050836
PNG
((S)-2-{(S)-3-Carboxy-2-[(1-{(S)-2-[3-(1-ethyl-prop...)
Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C27H47N5O8/c1-8-16(9-2)28-26(40)31-21(27(5,6)7)24(37)32-12-10-11-19(32)23(36)29-17(14-20(33)34)22(35)30-18(25(38)39)13-15(3)4/h15-19,21H,8-14H2,1-7H3,(H,29,36)(H,30,35)(H,33,34)(H,38,39)(H2,28,31,40)/t17-,18-,19-,21+/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Bio-Méga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)

J Med Chem 39: 2178-87 (1996)


Article DOI: 10.1021/jm950825x
BindingDB Entry DOI: 10.7270/Q2BG2N22
More data for this
Ligand-Target Pair