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BDBM50013375 CHEMBL163585::Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-Phe

SMILES: CC[C@H](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=DYFAMEGYVWGYEK-OBXOOUDUSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013375   
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...)
BDBM50013375
PNG
(CHEMBL163585 | Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-Phe)
Show SMILES CC[C@H](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/c1-9-20(6)33(41(64)65)51-38(61)27(16-30(55)56)47-37(60)26(15-28(43)53)48-39(62)31(18(2)3)50-40(63)32(19(4)5)49-35(58)22(8)45-29(54)17-44-34(57)21(7)46-36(59)25(42)14-23-10-12-24(52)13-11-23/h10-13,18-22,25-27,31-33,52H,9,14-17,42H2,1-8H3,(H2,43,53)(H,44,57)(H,45,54)(H,46,59)(H,47,60)(H,48,62)(H,49,58)(H,50,63)(H,51,61)(H,55,56)(H,64,65)/t20-,21-,22-,25-,26-,27-,31-,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.53E+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...)
BDBM50013375
PNG
(CHEMBL163585 | Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-Phe)
Show SMILES CC[C@H](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/c1-9-20(6)33(41(64)65)51-38(61)27(16-30(55)56)47-37(60)26(15-28(43)53)48-39(62)31(18(2)3)50-40(63)32(19(4)5)49-35(58)22(8)45-29(54)17-44-34(57)21(7)46-36(59)25(42)14-23-10-12-24(52)13-11-23/h10-13,18-22,25-27,31-33,52H,9,14-17,42H2,1-8H3,(H2,43,53)(H,44,57)(H,45,54)(H,46,59)(H,47,60)(H,48,62)(H,49,58)(H,50,63)(H,51,61)(H,55,56)(H,64,65)/t20-,21-,22-,25-,26-,27-,31-,32-,33-/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