BindingDB logo
myBDB logout

BDBM50166552 4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexyl}-2-trifluoromethoxy-benzenesulfonamide::CHEMBL193970

SMILES: CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12

InChI Key: InChIKey=RYUJZKYTNJACIJ-UHFFFAOYSA-N

Data: 3 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 = 50166552   
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
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50166552
PNG
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)|
Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY


Bioorg Med Chem Lett 15: 2565-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50166552
PNG
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)|
Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against mutated constitutively activated human Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 ce...


Bioorg Med Chem Lett 15: 2565-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50166552
PNG
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)|
Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


Bioorg Med Chem Lett 15: 2565-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.052
BindingDB Entry DOI: 10.7270/Q2Z89BXQ
More data for this
Ligand-Target Pair