BindingDB logo
myBDB logout

BDBM50341189 CHEMBL1760896::trans-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenylsulfonamido)cyclohexanecarboxamide

SMILES: CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12

InChI Key: InChIKey=AEALLVSFYNMBHG-SAABIXHNSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50341189   
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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50341189
PNG
(CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor after 1 hr


Bioorg Med Chem Lett 21: 1933-6 (2011)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50341189
PNG
(CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor after 1 hr


Bioorg Med Chem Lett 21: 1933-6 (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50341189
PNG
(CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-me...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins


Bioorg Med Chem Lett 21: 1933-6 (2011)

More data for this
Ligand-Target Pair