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BDBM10229 5-chloro-2-ethyl-7-methyl-13-{[(3-methylpyridin-4-yl)sulfanyl]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::8-heteroarylthiomethyldipyridodiazepinone deriv. 12

SMILES: CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3C)cnc12

InChI Key: InChIKey=YVVGGNNZPPNCKL-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 = 10229   
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 (K103N/Y181C)


(Human immunodeficiency virus type 1)
BDBM10229
PNG
(5-chloro-2-ethyl-7-methyl-13-{[(3-methylpyridin-4-...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3C)cnc12
Show InChI InChI=1S/C21H20ClN5OS/c1-4-27-19-15(21(28)26-18-12(2)7-17(22)25-20(18)27)8-14(10-24-19)11-29-16-5-6-23-9-13(16)3/h5-10H,4,11H2,1-3H3,(H,26,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.64E+3n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2006.10.080
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10229
PNG
(5-chloro-2-ethyl-7-methyl-13-{[(3-methylpyridin-4-...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3C)cnc12
Show InChI InChI=1S/C21H20ClN5OS/c1-4-27-19-15(21(28)26-18-12(2)7-17(22)25-20(18)27)8-14(10-24-19)11-29-16-5-6-23-9-13(16)3/h5-10H,4,11H2,1-3H3,(H,26,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd.



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2006.10.080
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair