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BDBM61868 5-[(3-carbazol-9-ylpropanoylhydrazinylidene)methyl]-4-(4-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate::5-[(3-carbazol-9-ylpropanoylhydrazono)methyl]-4-(4-methylpyridin-1-ium-1-yl)thiazol-2-olate::5-[[[3-(9-carbazolyl)-1-oxopropyl]hydrazinylidene]methyl]-4-(4-methyl-1-pyridin-1-iumyl)-2-thiazololate::MLS001049385::SMR000427303::cid_1963735

SMILES: Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12

InChI Key: InChIKey=CNFDIJKVCXAUCL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 61868   
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)
BDBM61868
PNG
(5-[(3-carbazol-9-ylpropanoylhydrazinylidene)methyl...)
Show SMILES Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H21N5O2S/c1-17-10-13-29(14-11-17)24-22(33-25(32)27-24)16-26-28-23(31)12-15-30-20-8-4-2-6-18(20)19-7-3-5-9-21(19)30/h2-11,13-14,16H,12,15H2,1H3,(H-,26,27,28,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.76E+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/Q2DF6PNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM61868
PNG
(5-[(3-carbazol-9-ylpropanoylhydrazinylidene)methyl...)
Show SMILES Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H21N5O2S/c1-17-10-13-29(14-11-17)24-22(33-25(32)27-24)16-26-28-23(31)12-15-30-20-8-4-2-6-18(20)19-7-3-5-9-21(19)30/h2-11,13-14,16H,12,15H2,1H3,(H-,26,27,28,31,32)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.41E+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/Q2J67FCM
More data for this
Ligand-Target Pair