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BDBM1540 2-ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::Dipyridodiazepinone deriv. 27

SMILES: CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1

InChI Key: InChIKey=OKBJYZHLIFUWOD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1540   
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 Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1540
PNG
(2-ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1
Show InChI InChI=1S/C18H21N5O/c1-3-23-16-13(7-6-10-19-16)18(24)21(2)14-8-9-15(20-17(14)23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1540
PNG
(2-ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1
Show InChI InChI=1S/C18H21N5O/c1-3-23-16-13(7-6-10-19-16)18(24)21(2)14-8-9-15(20-17(14)23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair