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2 similar compounds to monomer 50076741

Compile data set for download or QSAR
Wt: 447.5
BDBM42748
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Wt: 506.6
BDBM51329
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42748,51329   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM51329
PNG
(2-[[4-keto-3-(3-pyrrolidinopropyl)benzothiopheno[3...)
Show SMILES Cc1ccc(CNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N4O2S2/c1-19-9-11-20(12-10-19)17-28-23(32)18-34-27-29-24-21-7-2-3-8-22(21)35-25(24)26(33)31(27)16-6-15-30-13-4-5-14-30/h2-3,7-12H,4-6,13-18H2,1H3,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.30E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QN6558
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42748
PNG
(2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-[1]benzothio...)
Show SMILES CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCOCC1
Show InChI InChI=1S/C21H25N3O4S2/c1-2-28-17(25)14-29-21-22-18-15-6-3-4-7-16(15)30-19(18)20(26)24(21)9-5-8-23-10-12-27-13-11-23/h3-4,6-7H,2,5,8-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.00E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair