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BDBM50195311 CHEMBL3960206

SMILES: [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=HVFCPAJZPFPRJF-CAOOACKPSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50195311   
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))
BDBM50195311
PNG
(CHEMBL3960206)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-11-6-21(7-12-23)8-17-29(36)33-24-13-9-22(10-14-24)30(37)34-43(40,41)26-15-16-27(28(20-26)35(38)39)32-18-19-42-25-4-2-1-3-5-25/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 26: 5207-5211 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.061
BindingDB Entry DOI: 10.7270/Q2PN97K9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50195311
PNG
(CHEMBL3960206)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-11-6-21(7-12-23)8-17-29(36)33-24-13-9-22(10-14-24)30(37)34-43(40,41)26-15-16-27(28(20-26)35(38)39)32-18-19-42-25-4-2-1-3-5-25/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-8+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 26: 5207-5211 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.061
BindingDB Entry DOI: 10.7270/Q2PN97K9
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50195311
PNG
(CHEMBL3960206)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H25ClN4O6S2/c31-23-11-6-21(7-12-23)8-17-29(36)33-24-13-9-22(10-14-24)30(37)34-43(40,41)26-15-16-27(28(20-26)35(38)39)32-18-19-42-25-4-2-1-3-5-25/h1-17,20,32H,18-19H2,(H,33,36)(H,34,37)/b17-8+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 26: 5207-5211 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.061
BindingDB Entry DOI: 10.7270/Q2PN97K9
More data for this
Ligand-Target Pair