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BDBM50013381 Ala-Gly-Ala-Val-Val-Asn-Asp-Leu::CHEMBL103140::H-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu-OH

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O

InChI Key: InChIKey=ZJQRJZWUDPNVES-JBOWYNOGSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013381   
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...)
BDBM50013381
PNG
(Ala-Gly-Ala-Val-Val-Asn-Asp-Leu | CHEMBL103140 | H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H55N9O12/c1-13(2)9-20(32(52)53)39-29(49)19(11-23(44)45)37-28(48)18(10-21(34)42)38-30(50)24(14(3)4)41-31(51)25(15(5)6)40-27(47)17(8)36-22(43)12-35-26(46)16(7)33/h13-20,24-25H,9-12,33H2,1-8H3,(H2,34,42)(H,35,46)(H,36,43)(H,37,48)(H,38,50)(H,39,49)(H,40,47)(H,41,51)(H,44,45)(H,52,53)/t16-,17-,18-,19-,20-,24-,25-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.83E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


J Med Chem 33: 723-30 (1990)


BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013381
PNG
(Ala-Gly-Ala-Val-Val-Asn-Asp-Leu | CHEMBL103140 | H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H55N9O12/c1-13(2)9-20(32(52)53)39-29(49)19(11-23(44)45)37-28(48)18(10-21(34)42)38-30(50)24(14(3)4)41-31(51)25(15(5)6)40-27(47)17(8)36-22(43)12-35-26(46)16(7)33/h13-20,24-25H,9-12,33H2,1-8H3,(H2,34,42)(H,35,46)(H,36,43)(H,37,48)(H,38,50)(H,39,49)(H,40,47)(H,41,51)(H,44,45)(H,52,53)/t16-,17-,18-,19-,20-,24-,25-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


J Med Chem 33: 723-30 (1990)


BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair