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BDBM1575 2-cyclopropyl-9-methyl-5-(pyridin-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. 68

SMILES: CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1ccncc1

InChI Key: InChIKey=MWENNCGXKSSEBF-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 = 1575   
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)
BDBM1575
PNG
(2-cyclopropyl-9-methyl-5-(pyridin-4-yl)-2,4,9,15-t...)
Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1ccncc1
Show InChI InChI=1S/C20H17N5O/c1-24-17-7-6-16(13-8-11-21-12-9-13)23-19(17)25(14-4-5-14)18-15(20(24)26)3-2-10-22-18/h2-3,6-12,14H,4-5H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/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)
BDBM1575
PNG
(2-cyclopropyl-9-methyl-5-(pyridin-4-yl)-2,4,9,15-t...)
Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1ccncc1
Show InChI InChI=1S/C20H17N5O/c1-24-17-7-6-16(13-8-11-21-12-9-13)23-19(17)25(14-4-5-14)18-15(20(24)26)3-2-10-22-18/h2-3,6-12,14H,4-5H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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