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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50007977   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007977
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(25-30-27-49-33-20-10-9-19-32(30)33)42(59)50-35(21-11-12-23-48-44(61)53-34-22-13-17-29-16-7-8-18-31(29)34)41(58)52-38(26-39(55)56)43(60)51-36(40(47)57)24-28-14-5-4-6-15-28/h4-10,13-20,22,27,35-38,49H,11-12,21,23-26H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t35-,36?,37?,38?/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


J Med Chem 34: 2837-42 (1991)


Article DOI: 10.1021/jm00113a023
BindingDB Entry DOI: 10.7270/Q2JD4VRF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007977
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H54N8O9/c1-46(2,3)63-45(62)54-37(25-30-27-49-33-20-10-9-19-32(30)33)42(59)50-35(21-11-12-23-48-44(61)53-34-22-13-17-29-16-7-8-18-31(29)34)41(58)52-38(26-39(55)56)43(60)51-36(40(47)57)24-28-14-5-4-6-15-28/h4-10,13-20,22,27,35-38,49H,11-12,21,23-26H2,1-3H3,(H2,47,57)(H,50,59)(H,51,60)(H,52,58)(H,54,62)(H,55,56)(H2,48,53,61)/t35-,36?,37?,38?/m0/s1
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand


J Med Chem 34: 2837-42 (1991)


Article DOI: 10.1021/jm00113a023
BindingDB Entry DOI: 10.7270/Q2JD4VRF
More data for this
Ligand-Target Pair