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BDBM50133969 (S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-pyrrolidine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide::CHEMBL138346

SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)N(C(=O)C2CC2)C1=O

InChI Key: InChIKey=MUKSNMPSLGQSBW-ZQEOTTOMSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133969   
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
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133969
PNG
((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C24H27F3N4O4/c1-13-19-17(31(20(13)32)21(33)14-4-5-14)10-12-30(19)22(34)18-3-2-11-29(18)23(35)28-16-8-6-15(7-9-16)24(25,26)27/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,28,35)/t13-,17-,18-,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133969
PNG
((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C24H27F3N4O4/c1-13-19-17(31(20(13)32)21(33)14-4-5-14)10-12-30(19)22(34)18-3-2-11-29(18)23(35)28-16-8-6-15(7-9-16)24(25,26)27/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,28,35)/t13-,17-,18-,19+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human cytomegalovirus protease in HCMV pNA assay.


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair