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BDBM50013370 CHEMBL2371362::Tyr-Ala-Gly-Thr-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](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(C)C)C(O)=O

InChI Key: InChIKey=PMHGBRYDTGYHOB-PXLRZUOLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013370   
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...)
BDBM50013370
PNG
(CHEMBL2371362 | Tyr-Ala-Gly-Thr-Val-Val-Asn-Asp-Le...)
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](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C42H66N10O15/c1-18(2)13-28(42(66)67)49-38(62)27(16-31(57)58)47-37(61)26(15-29(44)55)48-39(63)32(19(3)4)51-40(64)33(20(5)6)52-41(65)34(22(8)53)50-30(56)17-45-35(59)21(7)46-36(60)25(43)14-23-9-11-24(54)12-10-23/h9-12,18-22,25-28,32-34,53-54H,13-17,43H2,1-8H3,(H2,44,55)(H,45,59)(H,46,60)(H,47,61)(H,48,63)(H,49,62)(H,50,56)(H,51,64)(H,52,65)(H,57,58)(H,66,67)/t21-,22+,25-,26-,27-,28-,32-,33-,34-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.40E+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
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM50013370
PNG
(CHEMBL2371362 | Tyr-Ala-Gly-Thr-Val-Val-Asn-Asp-Le...)
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](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C42H66N10O15/c1-18(2)13-28(42(66)67)49-38(62)27(16-31(57)58)47-37(61)26(15-29(44)55)48-39(63)32(19(3)4)51-40(64)33(20(5)6)52-41(65)34(22(8)53)50-30(56)17-45-35(59)21(7)46-36(60)25(43)14-23-9-11-24(54)12-10-23/h9-12,18-22,25-28,32-34,53-54H,13-17,43H2,1-8H3,(H2,44,55)(H,45,59)(H,46,60)(H,47,61)(H,48,63)(H,49,62)(H,50,56)(H,51,64)(H,52,65)(H,57,58)(H,66,67)/t21-,22+,25-,26-,27-,28-,32-,33-,34-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90E+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