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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50061278   
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


(Homo sapiens (Human))		BDBM50061278
PNG
((2S,4S)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-...)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)N1C[C@H](C[C@H]1C(O)=O)Oc1ccccc1)[C@@]([H])(C2)C3 |wU:14.28,32.36,30.39,43.48,3.3,wD:6.6,1.0,TLB:5:3:45:9.6.8,10:9:45:3.46.2,THB:5:6:45:3.46.2,2:3:9:1.45.8,2:1:9:3.5.46,(5.34,-8.16,;6.78,-8.71,;5.58,-10,;7.08,-9.56,;6.98,-11.1,;8.47,-10.13,;9.49,-8.85,;10.92,-9.37,;8.08,-9.21,;9.5,-7.34,;10.82,-6.56,;12.14,-7.3,;12.4,-5.72,;12.17,-8.85,;13.69,-8.85,;13.69,-7.3,;13.69,-10.37,;12.82,-11.81,;13.47,-13.37,;12.21,-14.47,;10.78,-13.56,;9.18,-14.05,;7.95,-12.89,;8.34,-11.26,;9.95,-10.79,;11.17,-11.95,;15.23,-8.85,;15.98,-10.18,;15.98,-7.52,;15.37,-6.11,;16.5,-5.1,;17.84,-5.85,;17.52,-7.36,;18.53,-8.5,;20.04,-8.17,;18.07,-9.95,;16.34,-3.56,;17.6,-2.66,;17.43,-1.14,;18.65,-.24,;20.07,-.87,;20.23,-2.4,;18.99,-3.29,;8.11,-6.76,;8.14,-5.24,;6.76,-7.24,;7.07,-8,)|
Show InChI InChI=1S/C34H39N3O6/c1-34(17-24-18-35-28-10-6-5-9-27(24)28,36-33(41)43-30-22-12-20-11-21(14-22)15-23(30)13-20)32(40)37-19-26(16-29(37)31(38)39)42-25-7-3-2-4-8-25/h2-10,18,20-23,26,29-30,35H,11-17,19H2,1H3,(H,36,41)(H,38,39)/t20-,21+,22-,23+,26-,29-,30?,34+/m0/s1
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Article
PubMed
 620n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.

J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair