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BDBM49124 MLS000082574::SMR000046180::cid_665142

SMILES: CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1

InChI Key: InChIKey=FFTCERLLXSWOKT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 49124   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
PDB

KEGG

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antibodypedia
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PC sid
UniChem
Article
PCBioAssay
n/an/a 410n/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 (2008)


Article DOI: 10.1021/cb3006165
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
PDB
MMDB

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UniChem
Article
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sanford-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 (2009)


Article DOI: 10.1021/cb400150c
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
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n/an/a 4.85E+3n/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)

More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
PDB
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PC sid
UniChem
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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)

More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
KEGG

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.00E+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, San Diego CA...


PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM49124
PNG
(MLS000082574 | SMR000046180 | cid_665142)
Show SMILES CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
Show InChI InChI=1S/C21H22N4O3S2/c1-29-21-23-17-15-12-4-2-5-13(12)16(14-6-3-11-28-14)22-20(15)30-18(17)19(24-21)25(7-9-26)8-10-27/h3,6,11,26-27H,2,4-5,7-10H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.67E+3n/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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair