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BDBM50470612 CHEMBL436209

SMILES: OC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O

InChI Key: InChIKey=OVTIIUFRQNZQPR-RRXGRGEISA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50470612   
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)
BDBM50470612
PNG
(CHEMBL436209)
Show SMILES OC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:19:21:31.36:24.29,44:45:49:43.42.48,48:43:50:47.49.46,48:47:50:43.42.44,37:22:31.36:24.29,25:24:21.22:31.36,35:36:21.22:24.29,THB:44:43:49:45.50.46,28:29:21.22:31.36,(19.63,-7.77,;18.28,-7,;18.28,-5.44,;16.94,-7.79,;15.59,-7.01,;14.26,-7.77,;12.94,-7,;11.38,-7.01,;10.98,-5.49,;10.28,-8.1,;10.69,-9.6,;11.77,-10.69,;13.25,-10.3,;14.33,-11.38,;13.94,-12.87,;15.04,-13.97,;12.45,-13.26,;11.37,-12.18,;8.79,-7.71,;7.29,-7.3,;7.75,-5.77,;2.67,-8.1,;3.67,-7.07,;3.67,-8.95,;5.65,-9.56,;7.45,-9.56,;8.72,-10.82,;8.07,-12.08,;6.09,-12.08,;4.93,-10.77,;2.69,-10.25,;.79,-10.83,;-.77,-11.41,;-2.3,-10.93,;-1.97,-9.88,;-.32,-9.21,;1.37,-9.5,;4.32,-5.93,;3.37,-5.02,;5.45,-5.26,;5.42,-3.95,;6.55,-3.28,;7.75,-3.57,;8.89,-3.15,;9.91,-4.25,;8.63,-3.89,;8.63,-2.53,;7.75,-1.49,;8.91,-1.89,;6.55,-1.98,;7.43,-4.37,;14.26,-9.33,;15.59,-10.11,;16.94,-9.34,;16.36,-11.44,;15.65,-13,;17.91,-11.45,)|
Show InChI InChI=1S/C46H45N3O8/c50-31-11-9-24(10-12-31)16-36(41(51)48-30-18-28(44(54)55)17-29(19-30)45(56)57)49-43(53)40-38-34-7-3-1-5-32(34)37(33-6-2-4-8-35(33)38)39(40)42(52)47-23-46-20-25-13-26(21-46)15-27(14-25)22-46/h1-12,17-19,25-27,36-40,50H,13-16,20-23H2,(H,47,52)(H,48,51)(H,49,53)(H,54,55)(H,56,57)/t25?,26?,27?,36-,37?,38?,39?,40?,46?/m1/s1
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PC cid
PC sid
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Article
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2.20n/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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50470612
PNG
(CHEMBL436209)
Show SMILES OC(=O)c1cc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:19:21:31.36:24.29,44:45:49:43.42.48,48:43:50:47.49.46,48:47:50:43.42.44,37:22:31.36:24.29,25:24:21.22:31.36,35:36:21.22:24.29,THB:44:43:49:45.50.46,28:29:21.22:31.36,(19.63,-7.77,;18.28,-7,;18.28,-5.44,;16.94,-7.79,;15.59,-7.01,;14.26,-7.77,;12.94,-7,;11.38,-7.01,;10.98,-5.49,;10.28,-8.1,;10.69,-9.6,;11.77,-10.69,;13.25,-10.3,;14.33,-11.38,;13.94,-12.87,;15.04,-13.97,;12.45,-13.26,;11.37,-12.18,;8.79,-7.71,;7.29,-7.3,;7.75,-5.77,;2.67,-8.1,;3.67,-7.07,;3.67,-8.95,;5.65,-9.56,;7.45,-9.56,;8.72,-10.82,;8.07,-12.08,;6.09,-12.08,;4.93,-10.77,;2.69,-10.25,;.79,-10.83,;-.77,-11.41,;-2.3,-10.93,;-1.97,-9.88,;-.32,-9.21,;1.37,-9.5,;4.32,-5.93,;3.37,-5.02,;5.45,-5.26,;5.42,-3.95,;6.55,-3.28,;7.75,-3.57,;8.89,-3.15,;9.91,-4.25,;8.63,-3.89,;8.63,-2.53,;7.75,-1.49,;8.91,-1.89,;6.55,-1.98,;7.43,-4.37,;14.26,-9.33,;15.59,-10.11,;16.94,-9.34,;16.36,-11.44,;15.65,-13,;17.91,-11.45,)|
Show InChI InChI=1S/C46H45N3O8/c50-31-11-9-24(10-12-31)16-36(41(51)48-30-18-28(44(54)55)17-29(19-30)45(56)57)49-43(53)40-38-34-7-3-1-5-32(34)37(33-6-2-4-8-35(33)38)39(40)42(52)47-23-46-20-25-13-26(21-46)15-27(14-25)22-46/h1-12,17-19,25-27,36-40,50H,13-16,20-23H2,(H,47,52)(H,48,51)(H,49,53)(H,54,55)(H,56,57)/t25?,26?,27?,36-,37?,38?,39?,40?,46?/m1/s1
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PC sid
UniChem
Article
PubMed
3.55E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Competition with 20 pM [125I]BH-CCK-8S at Cholecystokinin type A receptor binding sites on guinea pig pancreatic cells


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