BindingDB logo
myBDB logout

BDBM78637 1,5-dihydropyrimid[5,4-b]indole-4-thione::1,5-dihydropyrimido[5,4-b]indole-4-thione::9H-2,4,9-Triaza-fluorene-1-thiol::MLS000551996::SMR000174931::cid_814519

SMILES: S=c1[nH]cnc2c3ccccc3[nH]c12

InChI Key: InChIKey=GRGLYORBQXFOBQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 78637   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.65E+3n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.27E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair