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BDBM2145 1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethylamino)-2-fluorophenyl]ethyl}thiourea::LY300046HCl Analog 31::N-[2-(3-Cyano-4-(dimethylamino)-2-fluorophenethyl)]-N-[2-(5-bromopyridyl)]thiourea::PETT deriv.

SMILES: CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N

InChI Key: InChIKey=ATPNNLDEQIZTCL-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 2145   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2145
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethyla...)
Show SMILES CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
Show InChI InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2145
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethyla...)
Show SMILES CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
Show InChI InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2145
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethyla...)
Show SMILES CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
Show InChI InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair