BindingDB logo
myBDB logout

BDBM54963 6-[4-(2-furoyl)piperazino]-8-(2-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile::6-[4-(furan-2-carbonyl)piperazin-1-yl]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile::8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile::8-(furan-2-yl)-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile::MLS000071241::SMR000039575::cid_658547

SMILES: CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1

InChI Key: InChIKey=LLHVRXFKIUMHND-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 = 54963   
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
core protein


(Hepatitis C virus)
BDBM54963
PNG
(6-[4-(2-furoyl)piperazino]-8-(2-furyl)-3,3-dimethy...)
Show SMILES CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Show InChI InChI=1S/C24H24N4O3S/c1-24(2)13-16-17(14-25)22(26-21(18(16)15-32-24)19-5-3-11-30-19)27-7-9-28(10-8-27)23(29)20-6-4-12-31-20/h3-6,11-12H,7-10,13,15H2,1-2H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM54963
PNG
(6-[4-(2-furoyl)piperazino]-8-(2-furyl)-3,3-dimethy...)
Show SMILES CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Show InChI InChI=1S/C24H24N4O3S/c1-24(2)13-16-17(14-25)22(26-21(18(16)15-32-24)19-5-3-11-30-19)27-7-9-28(10-8-27)23(29)20-6-4-12-31-20/h3-6,11-12H,7-10,13,15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 1.09E+5n/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))
BDBM54963
PNG
(6-[4-(2-furoyl)piperazino]-8-(2-furyl)-3,3-dimethy...)
Show SMILES CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Show InChI InChI=1S/C24H24N4O3S/c1-24(2)13-16-17(14-25)22(26-21(18(16)15-32-24)19-5-3-11-30-19)27-7-9-28(10-8-27)23(29)20-6-4-12-31-20/h3-6,11-12H,7-10,13,15H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a>1.09E+5n/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