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BDBM4537 cid_1477619

SMILES: Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl

InChI Key: InChIKey=BPJVHYKTKRZBIP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 4537   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM4537
PNG
(cid_1477619)
Show SMILES Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2S/c22-19-6-5-16(13-20(19)23)14-25-15-17(18-3-1-2-4-21(18)25)7-8-24-9-11-28(26,27)12-10-24/h1-6,13,15H,7-12,14H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.98E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM4537
PNG
(cid_1477619)
Show SMILES Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2S/c22-19-6-5-16(13-20(19)23)14-25-15-17(18-3-1-2-4-21(18)25)7-8-24-9-11-28(26,27)12-10-24/h1-6,13,15H,7-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair