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BDBM2486 2-(cyclopentylamino)-6-[(2,6-difluorophenyl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one::2-Cyclopentylamino-6-(2,6-difluorophenylmethyl)-3,4-dihydro-5-methylpyrimidin-4(3H)-one::F2-NH-DABO 9b

SMILES: Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O

InChI Key: InChIKey=KKDXAEVIBXHCBE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2486   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2486
PNG
(2-(cyclopentylamino)-6-[(2,6-difluorophenyl)methyl...)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
Show InChI InChI=1S/C17H19F2N3O/c1-10-15(9-12-13(18)7-4-8-14(12)19)21-17(22-16(10)23)20-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the HIV-1 reverse transcriptase activity


J Med Chem 47: 928-34 (2004)


Article DOI: 10.1021/jm0309856
BindingDB Entry DOI: 10.7270/Q27082MQ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2486
PNG
(2-(cyclopentylamino)-6-[(2,6-difluorophenyl)methyl...)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
Show InChI InChI=1S/C17H19F2N3O/c1-10-15(9-12-13(18)7-4-8-14(12)19)21-17(22-16(10)23)20-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,20,21,22,23)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 47: 928-34 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.058
BindingDB Entry DOI: 10.7270/Q26W988R
More data for this
Ligand-Target Pair