new BindingDB logo
myBDB logout

BDBM1548 2-cyclopropyl-5-methoxy-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::Dipyridodiazepinone deriv. 37

SMILES: COc1ccc2N(C)C(=O)c3cccnc3N(C3CC3)c2n1

InChI Key: InChIKey=NWGYHPLUCAMQRY-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 = 1548   
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)
BDBM1548
PNG
(2-cyclopropyl-5-methoxy-9-methyl-2,4,9,15-tetraaza...)
Show SMILES COc1ccc2N(C)C(=O)c3cccnc3N(C3CC3)c2n1
Show InChI InChI=1S/C16H16N4O2/c1-19-12-7-8-13(22-2)18-15(12)20(10-5-6-10)14-11(16(19)21)4-3-9-17-14/h3-4,7-10H,5-6H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+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: 10.1016/j.bmcl.2005.10.088
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1548
PNG
(2-cyclopropyl-5-methoxy-9-methyl-2,4,9,15-tetraaza...)
Show SMILES COc1ccc2N(C)C(=O)c3cccnc3N(C3CC3)c2n1
Show InChI InChI=1S/C16H16N4O2/c1-19-12-7-8-13(22-2)18-15(12)20(10-5-6-10)14-11(16(19)21)4-3-9-17-14/h3-4,7-10H,5-6H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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: 10.1016/j.bmcl.2005.10.088
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair