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BDBM50013365 CHEMBL162919::Tyr-Ala-Val-Val-Asn-Asp-Leu

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)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O

InChI Key: InChIKey=PRTGCUXAAHWGNX-JEQRPEKRSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013365   
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...)
BDBM50013365
PNG
(CHEMBL162919 | Tyr-Ala-Val-Val-Asn-Asp-Leu)
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)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C36H56N8O12/c1-16(2)12-25(36(55)56)42-33(52)24(15-27(47)48)40-32(51)23(14-26(38)46)41-34(53)28(17(3)4)44-35(54)29(18(5)6)43-30(49)19(7)39-31(50)22(37)13-20-8-10-21(45)11-9-20/h8-11,16-19,22-25,28-29,45H,12-15,37H2,1-7H3,(H2,38,46)(H,39,50)(H,40,51)(H,41,53)(H,42,52)(H,43,49)(H,44,54)(H,47,48)(H,55,56)/t19-,22-,23-,24-,25-,28-,29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40E+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...)
BDBM50013365
PNG
(CHEMBL162919 | Tyr-Ala-Val-Val-Asn-Asp-Leu)
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)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C36H56N8O12/c1-16(2)12-25(36(55)56)42-33(52)24(15-27(47)48)40-32(51)23(14-26(38)46)41-34(53)28(17(3)4)44-35(54)29(18(5)6)43-30(49)19(7)39-31(50)22(37)13-20-8-10-21(45)11-9-20/h8-11,16-19,22-25,28-29,45H,12-15,37H2,1-7H3,(H2,38,46)(H,39,50)(H,40,51)(H,41,53)(H,42,52)(H,43,49)(H,44,54)(H,47,48)(H,55,56)/t19-,22-,23-,24-,25-,28-,29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.00E+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