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BDBM50013350 CHEMBL349664::Leu-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu

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

InChI Key: InChIKey=GKLUNQUUOZUBRI-AEXQHHOOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013350   
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...)
BDBM50013350
PNG
(CHEMBL349664 | Leu-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](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/C38H66N10O13/c1-16(2)11-22(39)33(55)43-20(9)31(53)41-15-27(50)42-21(10)32(54)47-30(19(7)8)37(59)48-29(18(5)6)36(58)45-23(13-26(40)49)34(56)44-24(14-28(51)52)35(57)46-25(38(60)61)12-17(3)4/h16-25,29-30H,11-15,39H2,1-10H3,(H2,40,49)(H,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,58)(H,46,57)(H,47,54)(H,48,59)(H,51,52)(H,60,61)/t20-,21-,22-,23-,24-,25-,29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.11E+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...)
BDBM50013350
PNG
(CHEMBL349664 | Leu-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](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/C38H66N10O13/c1-16(2)11-22(39)33(55)43-20(9)31(53)41-15-27(50)42-21(10)32(54)47-30(19(7)8)37(59)48-29(18(5)6)36(58)45-23(13-26(40)49)34(56)44-24(14-28(51)52)35(57)46-25(38(60)61)12-17(3)4/h16-25,29-30H,11-15,39H2,1-10H3,(H2,40,49)(H,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,58)(H,46,57)(H,47,54)(H,48,59)(H,51,52)(H,60,61)/t20-,21-,22-,23-,24-,25-,29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.50E+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