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BDBM50013356 CHEMBL162068::D-Tyr-Ala-Gly-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)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O

InChI Key: InChIKey=FXXZRFUMSFDETL-TZZUBUOVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013356   
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...)
BDBM50013356
PNG
(CHEMBL162068 | D-Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-L...)
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)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C41H64N10O14/c1-18(2)13-28(41(64)65)49-38(61)27(16-31(55)56)47-37(60)26(15-29(43)53)48-39(62)32(19(3)4)51-40(63)33(20(5)6)50-35(58)22(8)45-30(54)17-44-34(57)21(7)46-36(59)25(42)14-23-9-11-24(52)12-10-23/h9-12,18-22,25-28,32-33,52H,13-17,42H2,1-8H3,(H2,43,53)(H,44,57)(H,45,54)(H,46,59)(H,47,60)(H,48,62)(H,49,61)(H,50,58)(H,51,63)(H,55,56)(H,64,65)/t21-,22-,25+,26-,27-,28-,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+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...)
BDBM50013356
PNG
(CHEMBL162068 | D-Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-L...)
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)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C41H64N10O14/c1-18(2)13-28(41(64)65)49-38(61)27(16-31(55)56)47-37(60)26(15-29(43)53)48-39(62)32(19(3)4)51-40(63)33(20(5)6)50-35(58)22(8)45-30(54)17-44-34(57)21(7)46-36(59)25(42)14-23-9-11-24(52)12-10-23/h9-12,18-22,25-28,32-33,52H,13-17,42H2,1-8H3,(H2,43,53)(H,44,57)(H,45,54)(H,46,59)(H,47,60)(H,48,62)(H,49,61)(H,50,58)(H,51,63)(H,55,56)(H,64,65)/t21-,22-,25+,26-,27-,28-,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+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