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BDBM1562 2-ethyl-9-methyl-5-(1H-pyrazol-4-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. 53

SMILES: CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cn[nH]c1

InChI Key: InChIKey=RIPOGUPNVLZOCZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 1562   
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)
BDBM1562
PNG
(2-ethyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cn[nH]c1
Show InChI InChI=1S/C17H16N6O/c1-3-23-15-12(5-4-8-18-15)17(24)22(2)14-7-6-13(21-16(14)23)11-9-19-20-10-11/h4-10H,3H2,1-2H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/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)
BDBM1562
PNG
(2-ethyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cn[nH]c1
Show InChI InChI=1S/C17H16N6O/c1-3-23-15-12(5-4-8-18-15)17(24)22(2)14-7-6-13(21-16(14)23)11-9-19-20-10-11/h4-10H,3H2,1-2H3,(H,19,20)
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