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BDBM50393830 CHEMBL2159741

SMILES: CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C2CC2)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=ZJWUDKVSFNEIAK-KXQOOQHDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50393830   
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))
BDBM50393830
PNG
(CHEMBL2159741)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C2CC2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C49H52ClN7O6S2/c1-33-46(49(58)59)47(48(56(33)40-20-21-40)34-12-14-36(50)15-13-34)35-8-7-9-41(30-35)55-28-26-54(27-29-55)39-18-16-37(17-19-39)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-38(24-25-53(2)3)32-64-42-10-5-4-6-11-42/h4-19,22-23,30-31,38,40,51-52H,20-21,24-29,32H2,1-3H3,(H,58,59)/t38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50393830
PNG
(CHEMBL2159741)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C2CC2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C49H52ClN7O6S2/c1-33-46(49(58)59)47(48(56(33)40-20-21-40)34-12-14-36(50)15-13-34)35-8-7-9-41(30-35)55-28-26-54(27-29-55)39-18-16-37(17-19-39)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-38(24-25-53(2)3)32-64-42-10-5-4-6-11-42/h4-19,22-23,30-31,38,40,51-52H,20-21,24-29,32H2,1-3H3,(H,58,59)/t38-/m1/s1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair