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BDBM50738 MLS000762832::N-[(2,3-dimethoxyphenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine::N-[1-(2,3-Dimethoxy-phenyl)-meth-(E)-ylidene]-N'-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-hydrazine::SMR000439805::[(2,3-dimethoxybenzylidene)amino]-(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)amine::cid_4895375

SMILES: COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC

InChI Key: InChIKey=UMQPUSPEIYWAEX-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50738   
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))
BDBM50738
PNG
(MLS000762832 | N-[(2,3-dimethoxyphenyl)methylidene...)
Show SMILES COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC
Show InChI InChI=1S/C20H19N5O2/c1-12-7-8-15-14(9-12)17-18(24-15)20(22-11-21-17)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-9,11,24H,10H2,1-3H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.73E+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
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50738
PNG
(MLS000762832 | N-[(2,3-dimethoxyphenyl)methylidene...)
Show SMILES COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC
Show InChI InChI=1S/C20H19N5O2/c1-12-7-8-15-14(9-12)17-18(24-15)20(22-11-21-17)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-9,11,24H,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 571n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM50738
PNG
(MLS000762832 | N-[(2,3-dimethoxyphenyl)methylidene...)
Show SMILES COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC
Show InChI InChI=1S/C20H19N5O2/c1-12-7-8-15-14(9-12)17-18(24-15)20(22-11-21-17)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-9,11,24H,10H2,1-3H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a>4.98E+4n/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/Q29Z939R
More data for this
Ligand-Target Pair