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SMILES: Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl

InChI Key: InChIKey=UCBLJHHGZULHKH-UHFFFAOYSA-N

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 7 hits for monomerid = 48428   
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 3.79E+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
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a 1.49E+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 (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB
MMDB

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KEGG

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n/an/a 5.37E+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 (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB
MMDB

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KEGG

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n/an/a 4.38E+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 (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PCBioAssay
n/an/a 6.56E+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