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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50018958'   
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
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 6.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...

J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 8n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter

J Med Chem 59: 2973-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01612
BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis

J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells by competitive binding assay

J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells

Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 29n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter

J Med Chem 59: 2973-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01612
BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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 100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells

Bioorg Med Chem Lett 9: 2715-20 (1999)


BindingDB Entry DOI: 10.7270/Q23X88TZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr...

Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cel...

Citation and Details

Article DOI: 10.1007/s00044-004-0006-x
BindingDB Entry DOI: 10.7270/Q2377CM7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 9.70n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding a...

J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D3 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins...

J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 0.420n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human Gi/o-coupled D3 receptor expressed in HEK293T cells assessed as inhibition of isoproterenol-induced cAMP accumulation prein...

J Med Chem 63: 4579-4602 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01835
BindingDB Entry DOI: 10.7270/Q2F1935W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at D3 receptor (unknown origin) expressed in human HTLA cells assessed as induction of beta-arrestin2 recruitment measured after 16 ...

J Med Chem 63: 4579-4602 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01835
BindingDB Entry DOI: 10.7270/Q2F1935W
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at human histamine D3 receptor receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 2n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GalphaoA preincubated for 2 mins with coelenterazin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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KEGG

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n/an/an/an/a 1.90n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GalphaoA preincubated for 2 mins with coelenterazin...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 3.30n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 3.30n/an/an/an/a


TBA

Assay Description
Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recr...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01327
BindingDB Entry DOI: 10.7270/Q2BG2SS4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Activation of wild type human dopamine D3 receptor expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation countin...

Bioorg Med Chem 23: 3938-47 (2015)


Article DOI: 10.1016/j.bmc.2014.12.012
BindingDB Entry DOI: 10.7270/Q20K2BBV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Agonist activity at D3 receptor (unknown origin) expressed in cell membranes after 40 mins by [35S]GTPgammaS binding assay

Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 3.30n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D3 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]t...

J Med Chem 59: 2973-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01612
BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Activation of human dopamine D3 receptor L89K mutant expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation count...

Bioorg Med Chem 23: 3938-47 (2015)


Article DOI: 10.1016/j.bmc.2014.12.012
BindingDB Entry DOI: 10.7270/Q20K2BBV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 2.40n/an/an/an/a


TBA

Assay Description
Agonist activity at human dopamine D3 receptor expressed in HEK293T cells assessed as GalphaoA activation preincubated for 5 mins with coelenterazine...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 1.80n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair