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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50470617'   
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
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50470617
PNG
(CHEMBL137180)
Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCc2ccc3ccccc3c2)cc(c1)C(O)=O |wD:9.9,TLB:18:20:30.35:23.28,34:35:20.21:23.28,24:23:20.21:30.35,36:21:30.35:23.28,THB:27:28:20.21:30.35,(18.12,-9.94,;16.79,-9.16,;16.76,-7.61,;15.44,-9.96,;14.1,-9.19,;12.78,-9.96,;11.43,-9.19,;9.88,-9.19,;9.49,-7.68,;8.8,-10.28,;9.2,-11.78,;10.52,-12.56,;10.51,-14.1,;11.85,-14.88,;13.17,-14.11,;13.17,-12.56,;11.85,-11.78,;7.29,-9.88,;5.8,-9.49,;6.25,-7.93,;1.18,-10.28,;2.2,-9.26,;2.18,-11.13,;4.15,-11.72,;5.96,-11.72,;7.24,-13,;6.58,-14.24,;4.6,-14.24,;3.44,-12.94,;1.21,-12.43,;-.7,-13,;-2.23,-13.59,;-3.77,-13.1,;-3.45,-12.06,;-1.8,-11.4,;-.1,-11.69,;2.82,-8.12,;1.89,-7.19,;3.96,-7.45,;3.95,-6.12,;5.08,-5.47,;6.21,-6.12,;7.34,-5.47,;7.34,-4.15,;8.47,-3.49,;8.45,-2.18,;7.31,-1.53,;6.19,-2.2,;6.19,-3.5,;5.06,-4.15,;12.75,-11.49,;14.1,-12.27,;15.44,-11.49,;14.86,-13.62,;14.14,-15.17,;16.41,-13.62,)|
Show InChI InChI=1S/C46H37N3O7/c50-42(48-32-23-30(45(53)54)22-31(24-32)46(55)56)37(21-26-10-2-1-3-11-26)49-44(52)41-39-35-16-8-6-14-33(35)38(34-15-7-9-17-36(34)39)40(41)43(51)47-25-27-18-19-28-12-4-5-13-29(28)20-27/h1-20,22-24,37-41H,21,25H2,(H,47,51)(H,48,50)(H,49,52)(H,53,54)(H,55,56)/t37-,38?,39?,40?,41?/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
 2.70n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Competition with 20 pM [125I]BH-CCK-8S for Cholecystokinin type B receptor binding sites in mouse cortical homogenates

J Med Chem 38: 4294-302 (1995)


Article DOI: 10.1021/jm00021a019
BindingDB Entry DOI: 10.7270/Q2930WWV
More data for this
Ligand-Target Pair