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BDBM50006842 2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropoxy-phenyl)-3H-quinazolin-4-one::CHEMBL37312

SMILES: CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O

InChI Key: InChIKey=KUECXUACQOYKNB-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50006842   
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
Cholecystokinin receptor


(MOUSE)
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...


J Med Chem 35: 2534-42 (1992)


Article DOI: 10.1021/jm00092a003
BindingDB Entry DOI: 10.7270/Q2JM28MX
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled gastrin binding to gastrin/cholecystokinin type B receptor


J Med Chem 34: 1505-8 (1991)


Article DOI: 10.1021/jm00108a040
BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 81n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled CCK-8 sulfate binding to Cholecystokinin type B receptor in guinea pig brain membranes


J Med Chem 34: 1505-8 (1991)


Article DOI: 10.1021/jm00108a040
BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125 I]CCK-8 binding to Cholecystokinin type B receptor of mouse cerebral cortex


Bioorg Med Chem Lett 7: 805-810 (1997)


Article DOI: 10.1016/S0960-894X(97)00108-X
BindingDB Entry DOI: 10.7270/Q2XW4JTV
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against cholecystokinin type B receptor


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.


J Med Chem 34: 1505-8 (1991)


Article DOI: 10.1021/jm00108a040
BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair