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BDBM50013355 CHEMBL265148::Tyr-Ala-Gly-Ala-Val-Val-Asn-Asp-Leu-Lys

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)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=UEBQZEQIPGXSFT-UQEWWEJOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013355   
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...)
BDBM50013355
PNG
(CHEMBL265148 | Tyr-Ala-Gly-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)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C47H76N12O15/c1-22(2)17-31(42(68)54-30(47(73)74)11-9-10-16-48)55-44(70)33(20-36(63)64)56-43(69)32(19-34(50)61)57-45(71)37(23(3)4)59-46(72)38(24(5)6)58-40(66)26(8)52-35(62)21-51-39(65)25(7)53-41(67)29(49)18-27-12-14-28(60)15-13-27/h12-15,22-26,29-33,37-38,60H,9-11,16-21,48-49H2,1-8H3,(H2,50,61)(H,51,65)(H,52,62)(H,53,67)(H,54,68)(H,55,70)(H,56,69)(H,57,71)(H,58,66)(H,59,72)(H,63,64)(H,73,74)/t25-,26-,29-,30-,31-,32-,33-,37-,38-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.58E+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...)
BDBM50013355
PNG
(CHEMBL265148 | Tyr-Ala-Gly-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)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C47H76N12O15/c1-22(2)17-31(42(68)54-30(47(73)74)11-9-10-16-48)55-44(70)33(20-36(63)64)56-43(69)32(19-34(50)61)57-45(71)37(23(3)4)59-46(72)38(24(5)6)58-40(66)26(8)52-35(62)21-51-39(65)25(7)53-41(67)29(49)18-27-12-14-28(60)15-13-27/h12-15,22-26,29-33,37-38,60H,9-11,16-21,48-49H2,1-8H3,(H2,50,61)(H,51,65)(H,52,62)(H,53,67)(H,54,68)(H,55,70)(H,56,69)(H,57,71)(H,58,66)(H,59,72)(H,63,64)(H,73,74)/t25-,26-,29-,30-,31-,32-,33-,37-,38-/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