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BDBM50013384 CHEMBL2371367::Tyr-Ala-Gly-Ala-Val-Ile-Asn-Asp-Leu

SMILES: CC[C@H](C)[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(=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=INKRBUYJSMEETR-AEJPYOHVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013384   
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...)
BDBM50013384
PNG
(CHEMBL2371367 | Tyr-Ala-Gly-Ala-Val-Ile-Asn-Asp-Le...)
Show SMILES CC[C@H](C)[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(=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/C42H66N10O14/c1-9-21(6)34(41(64)49-27(16-30(44)54)38(61)48-28(17-32(56)57)39(62)50-29(42(65)66)14-19(2)3)52-40(63)33(20(4)5)51-36(59)23(8)46-31(55)18-45-35(58)22(7)47-37(60)26(43)15-24-10-12-25(53)13-11-24/h10-13,19-23,26-29,33-34,53H,9,14-18,43H2,1-8H3,(H2,44,54)(H,45,58)(H,46,55)(H,47,60)(H,48,61)(H,49,64)(H,50,62)(H,51,59)(H,52,63)(H,56,57)(H,65,66)/t21-,22-,23-,26-,27-,28-,29-,33-,34-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.30E+4n/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...)
BDBM50013384
PNG
(CHEMBL2371367 | Tyr-Ala-Gly-Ala-Val-Ile-Asn-Asp-Le...)
Show SMILES CC[C@H](C)[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(=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/C42H66N10O14/c1-9-21(6)34(41(64)49-27(16-30(44)54)38(61)48-28(17-32(56)57)39(62)50-29(42(65)66)14-19(2)3)52-40(63)33(20(4)5)51-36(59)23(8)46-31(55)18-45-35(58)22(7)47-37(60)26(43)15-24-10-12-25(53)13-11-24/h10-13,19-23,26-29,33-34,53H,9,14-18,43H2,1-8H3,(H2,44,54)(H,45,58)(H,46,55)(H,47,60)(H,48,61)(H,49,64)(H,50,62)(H,51,59)(H,52,63)(H,56,57)(H,65,66)/t21-,22-,23-,26-,27-,28-,29-,33-,34-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.90E+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