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PubMed code 1635055

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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...

Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)		BDBM50006838
PNG
(2-[2-(1H-Indol-3-yl)-ethyl]-3-(3-isopropoxy-phenyl...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H25N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-13,16-18,28H,14-15H2,1-2H3
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n/an/a 26n/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...

Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)		BDBM50006839
PNG
(2-[2-(1H-Indol-3-yl)-propyl]-3-(3-isopropoxy-pheny...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CC(C)c2c[nH]c3ccccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C28H27N3O2/c1-18(2)33-21-10-8-9-20(16-21)31-27(30-26-14-7-5-12-23(26)28(31)32)15-19(3)24-17-29-25-13-6-4-11-22(24)25/h4-14,16-19,29H,15H2,1-3H3
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n/an/a 70n/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...

Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)		BDBM50006840
PNG
(2-[2-(1H-Indol-3-yl)-vinyl]-3-(3-isopropoxy-phenyl...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(\C=C\c2c[nH]c3ccccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H23N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-18,28H,1-2H3/b15-14+
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n/an/a 430n/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...

Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)		BDBM50006837
PNG
(2-[2-(1H-Indol-3-yl)-ethyl]-3-phenyl-3H-quinazolin...)
Show SMILES O=c1n(c(CCc2c[nH]c3ccccc23)nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H19N3O/c28-24-20-11-5-7-13-22(20)26-23(27(24)18-8-2-1-3-9-18)15-14-17-16-25-21-12-6-4-10-19(17)21/h1-13,16,25H,14-15H2
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n/an/a 670n/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...

Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)		BDBM50006836
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-vinyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(\C=C\c2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H22BrN3O2/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/h3-17,29H,1-2H3/b13-10+
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n/an/a 1.40E+3n/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...

Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)		BDBM50006841
PNG
(2-[2-(1H-Indol-3-yl)-1-methyl-ethyl]-3-(3-isopropo...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(nc2ccccc2c1=O)C(C)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H27N3O2/c1-18(2)33-22-10-8-9-21(16-22)31-27(30-26-14-7-5-12-24(26)28(31)32)19(3)15-20-17-29-25-13-6-4-11-23(20)25/h4-14,16-19,29H,15H2,1-3H3
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n/an/a 9.10E+3n/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...

Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%