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BDBM50171978 4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-naphthalene-1-carboxylic acid::CHEMBL362936

SMILES: CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(C(O)=O)c4ccccc34)cnc12

InChI Key: InChIKey=HVGMCKJBWSKKBM-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 = 50171978   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171978
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(C(O)=O)c4ccccc34)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-21(26(32)30(2)22-9-6-13-28-25(22)31)15-17(16-29-24)12-14-35-23-11-10-20(27(33)34)18-7-4-5-8-19(18)23/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,33,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171978
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(C(O)=O)c4ccccc34)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-21(26(32)30(2)22-9-6-13-28-25(22)31)15-17(16-29-24)12-14-35-23-11-10-20(27(33)34)18-7-4-5-8-19(18)23/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,33,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 194n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair