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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50381'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50381
PNG
(2-[2-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyri...)
Show SMILES OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.74E+3n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50381
PNG
(2-[2-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyri...)
Show SMILES OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Eutropics Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari...


Bioorg Med Chem 21: 6642-9 (2013)


Article DOI: 10.1016/j.bmc.2013.08.017
BindingDB Entry DOI: 10.7270/Q2VH5Q8Q
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50381
PNG
(2-[2-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyri...)
Show SMILES OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.35E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair