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SMILES: OC(=O)c1cccc(n1)-c1ccc2CCCC(C(=O)Nc3nc4ccccc4s3)c2c1

InChI Key: InChIKey=WVFOPBUSNNLNOD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020924   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50020924
PNG
(CHEMBL3287287)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCC(C(=O)Nc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C24H19N3O3S/c28-22(27-24-26-19-7-1-2-10-21(19)31-24)16-6-3-5-14-11-12-15(13-17(14)16)18-8-4-9-20(25-18)23(29)30/h1-2,4,7-13,16H,3,5-6H2,(H,29,30)(H,26,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50020924
PNG
(CHEMBL3287287)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCC(C(=O)Nc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C24H19N3O3S/c28-22(27-24-26-19-7-1-2-10-21(19)31-24)16-6-3-5-14-11-12-15(13-17(14)16)18-8-4-9-20(25-18)23(29)30/h1-2,4,7-13,16H,3,5-6H2,(H,29,30)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair