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BDBM50471065 CHEMBL296167

SMILES: OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O

InChI Key: InChIKey=BNFRIDBZBVFJIR-FPHMAPQXSA-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 = 50471065   
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)
BDBM50471065
PNG
(CHEMBL296167)
Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wD:9.9,TLB:44:45:49:43.42.48,37:22:29.24:36.31,28:29:22.21:36.31,35:36:22.21:29.24,25:24:22.21:36.31,THB:20:21:29.24:36.31,44:43:49:45.50.46,46:45:42:47.49.48,46:47:42:45.50.44,32:31:22.21:29.24,(8.01,-6.63,;9.37,-5.87,;10.71,-6.64,;9.37,-4.31,;8.05,-3.54,;8.05,-1.98,;6.95,-.88,;5.47,-.48,;5.23,1.05,;4.2,-1.35,;4.05,-2.9,;5.21,-3.96,;6.55,-3.18,;7.89,-3.96,;7.89,-5.51,;6.52,-6.29,;5.21,-5.51,;2.83,-.57,;1.51,-1.35,;1.51,-2.9,;1.18,-1.33,;-.3,-.93,;.88,-.85,;.17,-1.58,;-1.64,-1.11,;-1.36,.19,;-2.44,1.1,;-3.8,.71,;-4.09,-.59,;-3,-1.49,;-1.14,-1.86,;-.53,-3.49,;-.89,-4.71,;.13,-5.65,;1.47,-5.34,;1.8,-4.1,;.81,-3.2,;1.28,.65,;.76,2.13,;2.78,.35,;3.8,1.53,;5.02,2.46,;6.24,1.69,;7.4,2.63,;9.16,2.49,;7.89,3.4,;7.47,4.87,;5.82,4.86,;6.97,3.98,;4.6,3.92,;6.64,2.4,;9.39,-1.21,;10.74,-1.98,;10.74,-3.54,;12.08,-1.22,;12.1,.33,;13.42,-2.01,)|
Show InChI InChI=1S/C47H47N3O7/c51-39(50-38(17-26-8-2-1-3-9-26)43(52)49-32-19-30(45(54)55)18-31(20-32)46(56)57)21-37-40-33-10-4-6-12-35(33)41(36-13-7-5-11-34(36)40)42(37)44(53)48-25-47-22-27-14-28(23-47)16-29(15-27)24-47/h1-13,18-20,27-29,37-38,40-42H,14-17,21-25H2,(H,48,53)(H,49,52)(H,50,51)(H,54,55)(H,56,57)/t27?,28?,29?,37?,38-,40?,41?,42?,47?/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cholecystokinin type B receptor using [125I]BH-CCK-8S as radioligand in mouse cortical membranes


J Med Chem 39: 1806-15 (1996)


Article DOI: 10.1021/jm9508907
BindingDB Entry DOI: 10.7270/Q2571FR6
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50471065
PNG
(CHEMBL296167)
Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wD:9.9,TLB:44:45:49:43.42.48,37:22:29.24:36.31,28:29:22.21:36.31,35:36:22.21:29.24,25:24:22.21:36.31,THB:20:21:29.24:36.31,44:43:49:45.50.46,46:45:42:47.49.48,46:47:42:45.50.44,32:31:22.21:29.24,(8.01,-6.63,;9.37,-5.87,;10.71,-6.64,;9.37,-4.31,;8.05,-3.54,;8.05,-1.98,;6.95,-.88,;5.47,-.48,;5.23,1.05,;4.2,-1.35,;4.05,-2.9,;5.21,-3.96,;6.55,-3.18,;7.89,-3.96,;7.89,-5.51,;6.52,-6.29,;5.21,-5.51,;2.83,-.57,;1.51,-1.35,;1.51,-2.9,;1.18,-1.33,;-.3,-.93,;.88,-.85,;.17,-1.58,;-1.64,-1.11,;-1.36,.19,;-2.44,1.1,;-3.8,.71,;-4.09,-.59,;-3,-1.49,;-1.14,-1.86,;-.53,-3.49,;-.89,-4.71,;.13,-5.65,;1.47,-5.34,;1.8,-4.1,;.81,-3.2,;1.28,.65,;.76,2.13,;2.78,.35,;3.8,1.53,;5.02,2.46,;6.24,1.69,;7.4,2.63,;9.16,2.49,;7.89,3.4,;7.47,4.87,;5.82,4.86,;6.97,3.98,;4.6,3.92,;6.64,2.4,;9.39,-1.21,;10.74,-1.98,;10.74,-3.54,;12.08,-1.22,;12.1,.33,;13.42,-2.01,)|
Show InChI InChI=1S/C47H47N3O7/c51-39(50-38(17-26-8-2-1-3-9-26)43(52)49-32-19-30(45(54)55)18-31(20-32)46(56)57)21-37-40-33-10-4-6-12-35(33)41(36-13-7-5-11-34(36)40)42(37)44(53)48-25-47-22-27-14-28(23-47)16-29(15-27)24-47/h1-13,18-20,27-29,37-38,40-42H,14-17,21-25H2,(H,48,53)(H,49,52)(H,50,51)(H,54,55)(H,56,57)/t27?,28?,29?,37?,38-,40?,41?,42?,47?/m0/s1
PDB
MMDB

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B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.09E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cholecystokinin type A receptor using [125I]BH-CCK-8S as radioligand in guinea pig pancreatic cells


J Med Chem 39: 1806-15 (1996)


Article DOI: 10.1021/jm9508907
BindingDB Entry DOI: 10.7270/Q2571FR6
More data for this
Ligand-Target Pair