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BDBM50385503 CHEMBL2040554

SMILES: OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1

InChI Key: InChIKey=WGOJWAPMMYTFMQ-UHFFFAOYSA-N

Data: 1 KI  4 IC50  1 EC50

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 6 hits for monomerid = 50385503   
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
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to PA N-terminal domain (Competitive)


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
BindingDB Entry DOI: 10.7270/Q2VQ34XH
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Influenza replication


Antimicrob Agents Chemother 40: 1304-7 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ09B6
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)


BindingDB Entry DOI: 10.7270/Q25H7HBP
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 800n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Plaque growth inhibition


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 40: 1304-7 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ09B6
More data for this
Ligand-Target Pair