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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50171983   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50171983
PNG
(CHEMBL370699 | {4-[2-(5-Ethyl-10-methyl-11-oxo-10,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CC(O)=O)cc3C)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-4-29-23-19(25(32)28(3)20-6-5-10-26-24(20)29)13-18(15-27-23)9-11-33-21-8-7-17(12-16(21)2)14-22(30)31/h5-8,10,12-13,15H,4,9,11,14H2,1-3H3,(H,30,31)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Effective concentration towards HIV-1 wild type reverse transcriptase activity by 50% measured in cellular assay


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)
BDBM50171983
PNG
(CHEMBL370699 | {4-[2-(5-Ethyl-10-methyl-11-oxo-10,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CC(O)=O)cc3C)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-4-29-23-19(25(32)28(3)20-6-5-10-26-24(20)29)13-18(15-27-23)9-11-33-21-8-7-17(12-16(21)2)14-22(30)31/h5-8,10,12-13,15H,4,9,11,14H2,1-3H3,(H,30,31)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 139n/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound towards HIV-1 K103N/Y181C mutant reverse transcriptase activity by 50% measured in cellular assay


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