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3 similar compounds to monomer 50738

Compile data set for download or QSAR
Wt: 391.4
BDBM50442
Wt: 391.4
BDBM50732
Wt: 377.3
BDBM67985

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50442,50732,67985   
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))
BDBM50442
PNG
((8-methyl-5H-pyrimid[5,4-b]indol-4-yl)-[(2,4,5-tri...)
Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3cc(C)ccc3[nH]c12
Show InChI InChI=1S/C21H21N5O3/c1-12-5-6-15-14(7-12)19-20(25-15)21(23-11-22-19)26-24-10-13-8-17(28-3)18(29-4)9-16(13)27-2/h5-9,11,25H,10H2,1-4H3
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 400n/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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50732
PNG
((8-methyl-5H-pyrimid[5,4-b]indol-4-yl)-[(2,3,4-tri...)
Show SMILES COc1ccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c(OC)c1OC
Show InChI InChI=1S/C21H21N5O3/c1-12-5-7-15-14(9-12)17-18(25-15)21(23-11-22-17)26-24-10-13-6-8-16(27-2)20(29-4)19(13)28-3/h5-9,11,25H,10H2,1-4H3
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.63E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67985
PNG
(5H-pyrimid[5,4-b]indol-4-yl-[(2,4,5-trimethoxybenz...)
Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C20H19N5O3/c1-26-15-9-17(28-3)16(27-2)8-12(15)10-23-25-20-19-18(21-11-22-20)13-6-4-5-7-14(13)24-19/h4-9,11,24H,10H2,1-3H3/b25-23+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.22E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM67985
PNG
(5H-pyrimid[5,4-b]indol-4-yl-[(2,4,5-trimethoxybenz...)
Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C20H19N5O3/c1-26-15-9-17(28-3)16(27-2)8-12(15)10-23-25-20-19-18(21-11-22-20)13-6-4-5-7-14(13)24-19/h4-9,11,24H,10H2,1-3H3/b25-23+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 280n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67985
PNG
(5H-pyrimid[5,4-b]indol-4-yl-[(2,4,5-trimethoxybenz...)
Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C20H19N5O3/c1-26-15-9-17(28-3)16(27-2)8-12(15)10-23-25-20-19-18(21-11-22-20)13-6-4-5-7-14(13)24-19/h4-9,11,24H,10H2,1-3H3/b25-23+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.22E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair