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Compile Data Set for Download or QSAR

Found 639 hits with Last Name = 'heitman' and Initial = 'lh'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243536
PNG
(CHEMBL4062749)
PDB

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0.0100n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243536
PNG
(CHEMBL4062749)
PDB

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0.0270n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243589
PNG
(CHEMBL4095223)
PDB

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0.0620n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243545
PNG
(CHEMBL4078689)
PDB

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0.100n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243608
PNG
(CHEMBL4100882)
PDB

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0.100n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243608
PNG
(CHEMBL4100882)
PDB

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0.100n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243625
PNG
(CHEMBL4094098)
PDB

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0.100n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243589
PNG
(CHEMBL4095223)
PDB

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0.100n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243645
PNG
(CHEMBL4087520)
PDB

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0.110n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243588
PNG
(CHEMBL4067800)
PDB

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0.126n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243627
PNG
(CHEMBL4068708)
PDB

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0.126n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243626
PNG
(CHEMBL4089821)
PDB

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0.126n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243645
PNG
(CHEMBL4087520)
PDB

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0.126n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243625
PNG
(CHEMBL4094098)
PDB

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0.130n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243626
PNG
(CHEMBL4089821)
PDB

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0.140n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243588
PNG
(CHEMBL4067800)
PDB

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0.180n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243627
PNG
(CHEMBL4068708)
PDB

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0.190n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243561
PNG
(CHEMBL4086535)
PDB

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0.200n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
PDB

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0.200n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243609
PNG
(CHEMBL4090706)
PDB

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0.200n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243593
PNG
(CHEMBL4089947)
PDB

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0.200n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243612
PNG
(CHEMBL4093165)
PDB

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0.220n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243594
PNG
(CHEMBL4082908)
PDB

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0.251n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243535
PNG
(CHEMBL4065097)
PDB

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0.251n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243594
PNG
(CHEMBL4082908)
PDB

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0.270n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243535
PNG
(CHEMBL4065097)
PDB

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0.280n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095768
PNG
(CHEMBL3590463)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCc1cccc(CCCCCCC)[n+]1C
Show InChI InChI=1S/C20H36N.CHF3O3S/c1-4-6-8-10-12-15-19-17-14-18-20(21(19)3)16-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h14,17-18H,4-13,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1
PDB
MMDB

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0.280n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243609
PNG
(CHEMBL4090706)
PDB

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0.300n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter.


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243644
PNG
(CHEMBL4066563)
PDB

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0.310n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter.


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243611
PNG
(CHEMBL4085407)
PDB

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0.316n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243644
PNG
(CHEMBL4066563)
PDB

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0.316n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243587
PNG
(CHEMBL4105382)
PDB

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0.316n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243587
PNG
(CHEMBL4105382)
PDB

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0.320n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243561
PNG
(CHEMBL4086535)
PDB

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0.320n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243545
PNG
(CHEMBL4078689)
PDB

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0.340n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243610
PNG
(CHEMBL4063825)
PDB

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0.370n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240839
PNG
(CHEMBL4062581)
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0.380n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243610
PNG
(CHEMBL4063825)
PDB

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0.398n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240839
PNG
(CHEMBL4062581)
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0.398n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243612
PNG
(CHEMBL4093165)
PDB

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0.501n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243637
PNG
(CHEMBL4068853)
PDB

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0.501n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at dopamine transporter.


J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243611
PNG
(CHEMBL4085407)
PDB

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0.520n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50077906
PNG
(CHEMBL3305901)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry


Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243637
PNG
(CHEMBL4068853)
PDB

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0.600n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240840
PNG
(CHEMBL4090548)
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0.631n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240840
PNG
(CHEMBL4090548)
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0.710n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243547
PNG
(CHEMBL4076020)
PDB

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0.794n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 9545-9564 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00861
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257518
PNG
(CHEMBL4063313)
PDB

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0.891n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL




J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50397723
PNG
(CHEMBL2181964)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21
Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50240846
PNG
(CHEMBL4072249)
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1n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL




J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
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