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BDBM50362144 CHEMBL1940663

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=GDDBBINSPFXMKT-PPHZAIPVSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50362144   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50362144
PNG
(CHEMBL1940663)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H33N5O7S2/c1-4-19(2)27(31-20(3)35)29(37)32-22-12-10-21(11-13-22)28(36)33-43(40,41)24-14-15-25(26(18-24)34(38)39)30-16-17-42-23-8-6-5-7-9-23/h5-15,18-19,27,30H,4,16-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t19-,27-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.29E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50362144
PNG
(CHEMBL1940663)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H33N5O7S2/c1-4-19(2)27(31-20(3)35)29(37)32-22-12-10-21(11-13-22)28(36)33-43(40,41)24-14-15-25(26(18-24)34(38)39)30-16-17-42-23-8-6-5-7-9-23/h5-15,18-19,27,30H,4,16-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t19-,27-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.38E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50362144
PNG
(CHEMBL1940663)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H33N5O7S2/c1-4-19(2)27(31-20(3)35)29(37)32-22-12-10-21(11-13-22)28(36)33-43(40,41)24-14-15-25(26(18-24)34(38)39)30-16-17-42-23-8-6-5-7-9-23/h5-15,18-19,27,30H,4,16-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t19-,27-/m0/s1
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
4.84E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2
More data for this
Ligand-Target Pair