new BindingDB logo
myBDB logout

BDBM50353635 CHEMBL1829801

SMILES: Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1

InChI Key: InChIKey=OHDBZTSRWQXSOV-UHFFFAOYSA-N

Data: 2 IC50  2 Kd

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 4 hits for monomerid = 50353635   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50353635
PNG
(CHEMBL1829801)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
Show InChI InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 331n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from human prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353635
PNG
(CHEMBL1829801)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
Show InChI InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50353635
PNG
(CHEMBL1829801)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
Show InChI InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at human prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353635
PNG
(CHEMBL1829801)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
Show InChI InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 19n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair