BindingDB logo
myBDB logout

3 similar compounds to monomer 65735

Compile data set for download or QSAR
Wt: 430.9
BDBM37204
Purchase
Wt: 458.9
BDBM56974
Purchase
Wt: 458.9
BDBM69511
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 37204,56974,69511   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37204
PNG
(8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-d...)
Show SMILES CCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C21H27ClN6O2/c1-4-8-28-17(23-19-18(28)20(29)25(3)21(30)24(19)2)14-26-9-11-27(12-10-26)16-7-5-6-15(22)13-16/h5-7,13H,4,8-12,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.88E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37204
PNG
(8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-d...)
Show SMILES CCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C21H27ClN6O2/c1-4-8-28-17(23-19-18(28)20(29)25(3)21(30)24(19)2)14-26-9-11-27(12-10-26)16-7-5-6-15(22)13-16/h5-7,13H,4,8-12,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.51E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37204
PNG
(8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-d...)
Show SMILES CCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C21H27ClN6O2/c1-4-8-28-17(23-19-18(28)20(29)25(3)21(30)24(19)2)14-26-9-11-27(12-10-26)16-7-5-6-15(22)13-16/h5-7,13H,4,8-12,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.03E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM56974
PNG
(7-amyl-8-[[4-(5-chloro-2-methyl-phenyl)piperazino]...)
Show SMILES CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C23H31ClN6O2/c1-4-5-6-9-30-19(25-21-20(30)22(31)26-23(32)27(21)3)15-28-10-12-29(13-11-28)18-14-17(24)8-7-16(18)2/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,26,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.57E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM56974
PNG
(7-amyl-8-[[4-(5-chloro-2-methyl-phenyl)piperazino]...)
Show SMILES CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C23H31ClN6O2/c1-4-5-6-9-30-19(25-21-20(30)22(31)26-23(32)27(21)3)15-28-10-12-29(13-11-28)18-14-17(24)8-7-16(18)2/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,26,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.70E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM69511
PNG
(8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-d...)
Show SMILES CC(C)CCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C23H31ClN6O2/c1-16(2)8-9-30-19(25-21-20(30)22(31)27(4)23(32)26(21)3)15-28-10-12-29(13-11-28)18-7-5-6-17(24)14-18/h5-7,14,16H,8-13,15H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM56974
PNG
(7-amyl-8-[[4-(5-chloro-2-methyl-phenyl)piperazino]...)
Show SMILES CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C23H31ClN6O2/c1-4-5-6-9-30-19(25-21-20(30)22(31)26-23(32)27(21)3)15-28-10-12-29(13-11-28)18-14-17(24)8-7-16(18)2/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,26,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair