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3 similar compounds to monomer 75792

Compile data set for download or QSAR
Wt: 366.4
BDBM39240
Wt: 360.4
BDBM66841
Wt: 455.5
BDBM75846
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 39240,66841,75846   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM39240
PNG
(3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoi...)
Show SMILES CN(C1CCCCC1)C(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O
Show InChI InChI=1S/C22H26N2O3/c1-23(16-9-3-2-4-10-16)20(25)15-8-7-11-17(14-15)24-21(26)18-12-5-6-13-19(18)22(24)27/h5-8,11,14,16,26-27H,2-4,9-10,12-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/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/Q2F769ZM
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM75846
PNG
(MLS001031372 | SMR000634550 | cid_4327876)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)N2C(=O)C3C4CC(C=C4)C3C2=O)c1C
Show InChI InChI=1S/C28H29N3O3/c1-17-5-3-8-23(18(17)2)29-11-13-30(14-12-29)26(32)21-6-4-7-22(16-21)31-27(33)24-19-9-10-20(15-19)25(24)28(31)34/h3-10,16,19-20,24-25H,11-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.73E+3n/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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66841
PNG
(3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N...)
Show SMILES Cc1ccccc1NC(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O
Show InChI InChI=1S/C22H20N2O3/c1-14-7-2-5-12-19(14)23-20(25)15-8-6-9-16(13-15)24-21(26)17-10-3-4-11-18(17)22(24)27/h2-9,12-13,26-27H,10-11H2,1H3,(H,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair