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BDBM50013373 CHEMBL350125::His-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)Cc1cnc[nH]1)C(C)C)C(C)C)C(O)=O

InChI Key: InChIKey=GWYXFWNTBMUKDE-BYMCBNJWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013373   
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...)
BDBM50013373
PNG
(CHEMBL350125 | His-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)Cc1cnc[nH]1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C38H62N12O13/c1-16(2)9-25(38(62)63)48-35(59)24(12-28(53)54)46-34(58)23(11-26(40)51)47-36(60)29(17(3)4)50-37(61)30(18(5)6)49-32(56)20(8)44-27(52)14-42-31(55)19(7)45-33(57)22(39)10-21-13-41-15-43-21/h13,15-20,22-25,29-30H,9-12,14,39H2,1-8H3,(H2,40,51)(H,41,43)(H,42,55)(H,44,52)(H,45,57)(H,46,58)(H,47,60)(H,48,59)(H,49,56)(H,50,61)(H,53,54)(H,62,63)/t19-,20-,22-,23-,24-,25-,29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.23E+5n/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...)
BDBM50013373
PNG
(CHEMBL350125 | His-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)Cc1cnc[nH]1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C38H62N12O13/c1-16(2)9-25(38(62)63)48-35(59)24(12-28(53)54)46-34(58)23(11-26(40)51)47-36(60)29(17(3)4)50-37(61)30(18(5)6)49-32(56)20(8)44-27(52)14-42-31(55)19(7)45-33(57)22(39)10-21-13-41-15-43-21/h13,15-20,22-25,29-30H,9-12,14,39H2,1-8H3,(H2,40,51)(H,41,43)(H,42,55)(H,44,52)(H,45,57)(H,46,58)(H,47,60)(H,48,59)(H,49,56)(H,50,61)(H,53,54)(H,62,63)/t19-,20-,22-,23-,24-,25-,29-,30-/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