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Compile Data Set for Download or QSAR

Found 687 hits with Last Name = 'osman' and Initial = 'a'   
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
Furin


(Homo sapiens (Human))
BDBM50552678
PNG
(CHEMBL4759036)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.00500n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601724
PNG
(CHEMBL5190391)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.00600n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601696
PNG
(CHEMBL5189844)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.00800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601705
PNG
(CHEMBL5203612)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCN)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.00900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601720
PNG
(CHEMBL5188244)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601719
PNG
(CHEMBL5193701)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0130n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601721
PNG
(CHEMBL5205365)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0140n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601698
PNG
(CHEMBL5175269)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1cccc(CNC(N)=N)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601700
PNG
(CHEMBL5207872)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CN)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0220n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601703
PNG
(CHEMBL5202322)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(C(N)=N)c(F)c1 |r|
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0.0223n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601723
PNG
(CHEMBL5203853)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0280n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601722
PNG
(CHEMBL5176040)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0340n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601716
PNG
(CHEMBL5207759)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.0538n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516776
PNG
(CHEMBL4437741)
Show SMILES CCCCCn1c2ccccc2s\c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
Show InChI InChI=1S/C23H30N2OS/c1-2-3-6-9-25-19-7-4-5-8-20(19)27-22(25)24-21(26)23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3/b24-22+
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0.100n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516789
PNG
(CHEMBL4559193)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2OS/c1-2-3-8-16-25-20-14-6-7-15-21(20)27-23(25)24-22(26)19-13-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3/b24-23-
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0.110n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601712
PNG
(CHEMBL5207183)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601697
PNG
(CHEMBL5179893)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.170n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601699
PNG
(CHEMBL5191544)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccccc1CNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.196n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Furin


(Homo sapiens (Human))
BDBM50601714
PNG
(CHEMBL5202985)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCNC(=O)CCN2CCN(CC2)CCC(=O)NCCCC[C@H](NC1=O)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:56.56,30.31,wD:19.19,8.8,4.3,(.59,-.95,;-.9,-.55,;-1.74,-2.02,;-.5,-2.04,;-1.3,.94,;-2.63,1.72,;-3.95,.94,;-5.28,1.64,;-3.95,-.62,;-2.62,-1.39,;-2.62,-2.93,;-1.29,-3.7,;-1.29,-5.24,;.05,-6.01,;.05,-7.55,;1.38,-5.24,;-5.28,-1.4,;-5.83,-2.89,;-4.97,-4.14,;-7.39,-2.89,;-8.17,-4.22,;-7.39,-5.54,;-8.17,-6.87,;-7.39,-8.27,;-8.17,-9.6,;-9.73,-9.6,;-7.39,-10.93,;-7.94,-1.48,;-9.34,-.7,;-9.34,.86,;-10.59,-1.48,;-10.59,-3.04,;-11.99,-.78,;-11.99,.78,;-10.67,1.56,;-10.67,3.12,;-9.34,3.9,;-9.42,5.46,;-10.75,6.24,;-8.09,6.24,;-8.09,7.81,;-6.76,8.59,;-6.76,10.15,;-5.44,10.93,;-4.11,10.15,;-4.11,8.59,;-5.44,7.81,;-2.78,10.93,;-1.46,10.23,;-1.46,8.66,;-2.78,7.88,;-.05,7.88,;1.2,8.66,;2.6,7.96,;2.6,6.4,;1.28,5.62,;1.28,4.06,;-.05,3.28,;.03,1.72,;1.35,.94,;2.68,3.28,;2.68,1.72,;4.01,4.06,;5.35,3.3,;6.67,4.08,;6.66,5.62,;7.99,6.4,;9.33,5.64,;9.34,4.11,;8.02,3.32,;10.66,6.41,;11.99,5.64,;10.66,7.95,)|
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0.491n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Furin


(Homo sapiens (Human))
BDBM50601710
PNG
(CHEMBL5175238)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.504n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601717
PNG
(CHEMBL5174341)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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0.618n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50303774
PNG
(CHEMBL566340 | phenylacetyl-Arg-Val-Arg-4-amidinob...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601713
PNG
(CHEMBL5179100)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Furin


(Homo sapiens (Human))
BDBM50601702
PNG
(CHEMBL5199257)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(N)nc1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516782
PNG
(CHEMBL4592199)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2OS/c1-2-3-6-12-25-16-10-4-5-11-17(16)27-19(25)24-18(26)14-8-7-9-15(13-14)20(21,22)23/h4-5,7-11,13H,2-3,6,12H2,1H3/b24-19-
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1n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601711
PNG
(CHEMBL5207252)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601715
PNG
(CHEMBL5189192)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCNC(=O)Cc2ccc(CNC(=O)CCCC(=O)NCCCC[C@H](NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc2 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601726
PNG
(CHEMBL5189010)
Show SMILES CC(C)(C)[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1
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2n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516789
PNG
(CHEMBL4559193)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2OS/c1-2-3-8-16-25-20-14-6-7-15-21(20)27-23(25)24-22(26)19-13-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3/b24-23-
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2n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601734
PNG
(CHEMBL5177645)
Show SMILES NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1)C(N)=N)Oc1ccc(cc1)C(N)=N |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202519
PNG
(CHEMBL3909238)
Show SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C22H29NO3S/c1-2-26-20(24)18-16-5-3-4-6-17(16)27-19(18)23-21(25)22-10-13-7-14(11-22)9-15(8-13)12-22/h13-15H,2-12H2,1H3,(H,23,25)
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2.20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601701
PNG
(CHEMBL5177253)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(CN)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601725
PNG
(CHEMBL5170438)
Show SMILES CC(C)[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207839
PNG
(US9266828, B)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6](-[#7])=[#7])c(F)c1 |r|
Show InChI InChI=1S/C31H45FN12O4/c1-16(2)25(44-28(47)23(41-17(3)45)5-4-12-39-30(35)36)29(48)43-24(14-18-6-9-20(10-7-18)42-31(37)38)27(46)40-15-19-8-11-21(26(33)34)22(32)13-19/h6-11,13,16,23-25H,4-5,12,14-15H2,1-3H3,(H3,33,34)(H,40,46)(H,41,45)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,42)/t23-,24-,25-/m0/s1
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3.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50448473
PNG
(CHEMBL3126399)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C49H90N24O8/c1-28(67-41(77)33(68-29(2)74)13-7-23-62-46(54)55)39(75)69-35(14-8-24-63-47(56)57)43(79)72-37(16-10-26-65-49(60)61)45(81)73-36(15-9-25-64-48(58)59)44(80)71-34(12-4-6-22-51)42(78)70-32(11-3-5-21-50)40(76)66-27-30-17-19-31(20-18-30)38(52)53/h17-20,28,32-37H,3-16,21-27,50-51H2,1-2H3,(H3,52,53)(H,66,76)(H,67,77)(H,68,74)(H,69,75)(H,70,78)(H,71,80)(H,72,79)(H,73,81)(H4,54,55,62)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t28-,32-,33-,34-,35-,36-,37-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50601735
PNG
(CHEMBL5199986)
Show SMILES NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@H](C[C@H]1Oc1ccc(cc1Cl)C(N)=N)Oc1ccc(cc1Cl)C(N)=N |r|
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5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50279582
PNG
(CHEMBL488769 | N-[(1S,2S,4R,5R)-5-Guanidino-4-(4-g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]1-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
Show InChI InChI=1S/C26H34N12O2/c27-23(28)35-13-5-7-14(8-6-13)39-21-12-22(19(38-26(33)34)11-18(21)37-25(31)32)40-20-10-9-17(36-24(29)30)15-3-1-2-4-16(15)20/h1-10,18-19,21-22H,11-12H2,(H4,27,28,35)(H4,29,30,36)(H4,31,32,37)(H4,33,34,38)/t18-,19+,21-,22+/m0/s1
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6n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202521
PNG
(CHEMBL3962080)
Show SMILES CCc1c(cc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
Show InChI InChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28)/t20-,23+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50448472
PNG
(CHEMBL3126398)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C46H91N25O8/c1-27(65-37(75)30(66-28(2)72)15-9-23-61-43(51)52)35(73)67-32(16-10-24-62-44(53)54)39(77)70-34(18-12-26-64-46(57)58)41(79)71-33(17-11-25-63-45(55)56)40(78)69-31(14-4-6-20-48)38(76)68-29(13-3-5-19-47)36(74)59-21-7-8-22-60-42(49)50/h7-8,27,29-34H,3-6,9-26,47-48H2,1-2H3,(H,59,74)(H,65,75)(H,66,72)(H,67,73)(H,68,76)(H,69,78)(H,70,77)(H,71,79)(H4,49,50,60)(H4,51,52,61)(H4,53,54,62)(H4,55,56,63)(H4,57,58,64)/b8-7+/t27-,29-,30-,31-,32-,33-,34-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207838
PNG
(US9266828, A)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C31H46N12O4/c1-17(2)25(43-28(46)23(40-18(3)44)5-4-14-38-30(34)35)29(47)42-24(15-19-8-12-22(13-9-19)41-31(36)37)27(45)39-16-20-6-10-21(11-7-20)26(32)33/h6-13,17,23-25H,4-5,14-16H2,1-3H3,(H3,32,33)(H,39,45)(H,40,44)(H,42,47)(H,43,46)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202511
PNG
(CHEMBL3982062)
Show SMILES Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
Show InChI InChI=1S/C23H28N2O/c1-15-8-21(16(2)25(15)20-6-4-3-5-7-20)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-8,17-19H,9-14H2,1-2H3,(H,24,26)
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7.60n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM207840
PNG
(US9266828, C)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1F)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C31H45FN12O4/c1-16(2)25(44-28(47)23(41-17(3)45)5-4-12-39-30(35)36)29(48)43-24(13-18-6-10-21(11-7-18)42-31(37)38)27(46)40-15-20-9-8-19(26(33)34)14-22(20)32/h6-11,14,16,23-25H,4-5,12-13,15H2,1-3H3,(H3,33,34)(H,40,46)(H,41,45)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,42)/t23-,24-,25-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00518
BindingDB Entry DOI: 10.7270/Q26H4NG9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
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