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BDBM50124464 5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-pyridin-4-yl-pyrimidin-4-yl]-amide::CHEMBL177143

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccncc1

InChI Key: InChIKey=OZBAKTZMSBVKFA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50124464   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50124464
PNG
(5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccncc1
Show InChI InChI=1S/C27H25N5O5S/c1-5-16-36-27-24(37-22-9-7-6-8-21(22)35-4)26(30-25(31-27)19-12-14-28-15-13-19)32-38(33,34)23-11-10-20(17-29-23)18(2)3/h1,6-15,17-18H,16H2,2-4H3,(H,30,31,32)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor


Bioorg Med Chem Lett 13: 955-9 (2003)


Article DOI: 10.1016/s0960-894x(02)01084-3
BindingDB Entry DOI: 10.7270/Q28C9VK8
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50124464
PNG
(5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccncc1
Show InChI InChI=1S/C27H25N5O5S/c1-5-16-36-27-24(37-22-9-7-6-8-21(22)35-4)26(30-25(31-27)19-12-14-28-15-13-19)32-38(33,34)23-11-10-20(17-29-23)18(2)3/h1,6-15,17-18H,16H2,2-4H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 823n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor


Bioorg Med Chem Lett 13: 955-9 (2003)


Article DOI: 10.1016/s0960-894x(02)01084-3
BindingDB Entry DOI: 10.7270/Q28C9VK8
More data for this
Ligand-Target Pair