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BDBM29631 MLS000082179::SMR000061522::[3-amino-4-(1,3-benzothiazol-2-yl)-5-(ethylamino)-2-thienyl]-(2-thienyl)methanone::[3-amino-4-(1,3-benzothiazol-2-yl)-5-(ethylamino)-2-thiophenyl]-thiophen-2-ylmethanone::[3-amino-4-(1,3-benzothiazol-2-yl)-5-(ethylamino)thiophen-2-yl]-thiophen-2-ylmethanone::[3-azanyl-4-(1,3-benzothiazol-2-yl)-5-(ethylamino)thiophen-2-yl]-thiophen-2-yl-methanone::cid_2998964

SMILES: CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1

InChI Key: InChIKey=YARWAOOHYQHUQY-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 29631   
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29631
PNG
(MLS000082179 | SMR000061522 | [3-amino-4-(1,3-benz...)
Show SMILES CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C18H15N3OS3/c1-2-20-17-13(18-21-10-6-3-4-7-11(10)24-18)14(19)16(25-17)15(22)12-8-5-9-23-12/h3-9,20H,2,19H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 6.32E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DV1H7P
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM29631
PNG
(MLS000082179 | SMR000061522 | [3-amino-4-(1,3-benz...)
Show SMILES CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C18H15N3OS3/c1-2-20-17-13(18-21-10-6-3-4-7-11(10)24-18)14(19)16(25-17)15(22)12-8-5-9-23-12/h3-9,20H,2,19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a 3.17E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29631
PNG
(MLS000082179 | SMR000061522 | [3-amino-4-(1,3-benz...)
Show SMILES CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C18H15N3OS3/c1-2-20-17-13(18-21-10-6-3-4-7-11(10)24-18)14(19)16(25-17)15(22)12-8-5-9-23-12/h3-9,20H,2,19H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 6.32E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair