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BDBM2071 3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}propanamide::8-Substituted Dipyridodiazepinone 12

SMILES: CCN1c2ncccc2N(C)C(=O)c2cc(CCC(N)=O)cnc12

InChI Key: InChIKey=NRNIFZBRIWLZHG-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2071   
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)
BDBM2071
PNG
(3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC(N)=O)cnc12
Show InChI InChI=1S/C17H19N5O2/c1-3-22-15-12(9-11(10-20-15)6-7-14(18)23)17(24)21(2)13-5-4-8-19-16(13)22/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,23)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/a7.822



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 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2071
PNG
(3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC(N)=O)cnc12
Show InChI InChI=1S/C17H19N5O2/c1-3-22-15-12(9-11(10-20-15)6-7-14(18)23)17(24)21(2)13-5-4-8-19-16(13)22/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,23)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/a7.822



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 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair