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BDBM61874 3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy-phenyl)propanamide::3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide::3-[(4-bromophenyl)sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide::3-brosyl-N-(5-chloro-2-methoxy-phenyl)propionamide::MLS001202289::SMR000564972::cid_4104685

SMILES: COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1

InChI Key: InChIKey=NIABXQNAUHOSTJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 61874   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM61874
PNG
(3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM61874
PNG
(3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 3.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM61874
PNG
(3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

n/an/a 1.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM61874
PNG
(3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM61874
PNG
(3-(4-bromophenyl)sulfonyl-N-(5-chloranyl-2-methoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrClNO4S/c1-23-15-7-4-12(18)10-14(15)19-16(20)8-9-24(21,22)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 4.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair