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Compile Data Set for Download or QSAR

Found 989 hits with Last Name = 'marcinkowska' and Initial = 'm'   
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(2) dopamine receptor


(Homo sapiens (Human))		BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2S receptor expressed in HEK293 cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 0.0400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in CHO cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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Adamed Ltd.

Curated by ChEMBL


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

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human recombinant D2S receptor expressed in HEK293 cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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Jagiellonian University Collegium Medicum

Curated by ChEMBL


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

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant D1 receptor expressed in CHO cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50018051
PNG
(CHEMBL3289972)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H24ClFN4O3S/c22-18-15-16(7-8-19(18)23)31(28,29)24-9-3-4-10-26-11-13-27(14-12-26)21-17-5-1-2-6-20(17)30-25-21/h1-2,5-8,15,24H,3-4,9-14H2
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 0.100n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
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 0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


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

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50551387
PNG
(CHEMBL4747225)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
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 0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50018250
PNG
(CHEMBL3290016)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C25H27F2N3O3S2/c1-16-21-14-18(26)5-7-23(21)34-25(16)35(31,32)28-10-2-3-11-30-12-8-17(9-13-30)24-20-6-4-19(27)15-22(20)33-29-24/h4-7,14-15,17,28H,2-3,8-13H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551387
PNG
(CHEMBL4747225)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
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 0.245n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50585206
PNG
(CHEMBL5084167)
Show SMILES Fc1ccc2c(CCCN3CCC(CS(=O)(=O)c4ccc5ccccc5c4)C3)noc2c1
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 0.245n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human human 5-HT2A receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00497
BindingDB Entry DOI: 10.7270/Q24171XC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551379
PNG
(CHEMBL4759492)
Show SMILES Cn1ccc2cc(ccc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551376
PNG
(CHEMBL4753094)
Show SMILES O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1 |r|
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TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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 0.300n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEK293 cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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 0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-293 cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50174269
PNG
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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 0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter

Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50258433
PNG
(CHEMBL4062817)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C27H28FN3O2S/c28-23-8-10-27-25(18-23)26(19-29-27)21-11-15-31(16-12-21)14-4-3-13-30-34(32,33)24-9-7-20-5-1-2-6-22(20)17-24/h1-2,5-11,17-19,29-30H,3-4,12-16H2
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 0.300n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting

J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551386
PNG
(CHEMBL4763085)
Show SMILES O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
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 0.331n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551377
PNG
(CHEMBL4764006)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1 |r|
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 0.347n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551369
PNG
(CHEMBL4754193)
Show SMILES Fc1ccc2cc(sc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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 0.398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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 0.400n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50018239
PNG
(CHEMBL3290004)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H24FN3O3S/c25-20-6-8-22-23(16-20)31-27-24(22)18-9-12-28(13-10-18)14-11-26-32(29,30)21-7-5-17-3-1-2-4-19(17)15-21/h1-8,15-16,18,26H,9-14H2
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 0.400n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50018022
PNG
(CHEMBL3289944)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H28N4O2S2/c1-18-7-6-8-19(17-18)30(27,28)23-11-4-5-12-25-13-15-26(16-14-25)22-20-9-2-3-10-21(20)29-24-22/h2-3,6-10,17,23H,4-5,11-16H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50070831
PNG
(CHEMBL3409238)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4n(ccc34)S(=O)(=O)c3ccccc3)cc2N1
Show InChI InChI=1S/C31H34N4O4S/c36-31-14-12-24-11-13-25(23-28(24)32-31)39-22-5-4-16-33-18-20-34(21-19-33)29-9-6-10-30-27(29)15-17-35(30)40(37,38)26-7-2-1-3-8-26/h1-3,6-11,13,15,17,23H,4-5,12,14,16,18-22H2,(H,32,36)
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 0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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 0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK-293 cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551375
PNG
(CHEMBL4793608)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1csc2ccccc12 |r|
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 0.417n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.440n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]4-DAMP from human recombinant M3 receptor expressed in CHO cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551390
PNG
(CHEMBL4754138)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12 |r|
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 0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50551373
PNG
(CHEMBL4795995)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1 |r|
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 0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551378
PNG
(CHEMBL4785434)
Show SMILES Cn1ccc2cc(ccc12)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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 0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]4-DAMP from human recombinant M3 receptor mins by scintillation counting analysis relative to control

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))		BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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 0.480n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]4-DAMP from human recombinant M5 receptor expressed in CHO cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]RX-821002 from human adrenergic alpha2C receptor expressed in CHO cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50018224
PNG
(CHEMBL3290002)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H26FN3O3S/c26-20-9-10-22-23(17-20)32-28-25(22)19-11-15-29(16-12-19)14-4-13-27-33(30,31)24-8-3-6-18-5-1-2-7-21(18)24/h1-3,5-10,17,19,27H,4,11-16H2
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 0.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50018019
PNG
(CHEMBL3290012)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H26FN3O3S2/c25-19-7-8-20-21(16-19)31-27-24(20)17-9-13-28(14-10-17)12-4-3-11-26-33(29,30)23-15-18-5-1-2-6-22(18)32-23/h1-2,5-8,15-17,26H,3-4,9-14H2
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 0.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEK293 cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human recombinant alpha2C adrenoceptor expressed in CHO cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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 0.550n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from recombinant human 5HT7 receptor expressed in CHOK1 cell membranes measured after 120 mins by microbeta counting method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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 0.562n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor transfected in CHO-K1 cells measured after 120 mins by scintillation counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00497
BindingDB Entry DOI: 10.7270/Q24171XC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50551396
PNG
(CHEMBL4748379)
Show SMILES Cc1ccc2sc(cc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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 0.589n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM85098
PNG
(N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-y...)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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PubMed
 0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in HEK293 cells

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50018231
PNG
(CHEMBL3290003)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-21-10-11-23-24(18-21)33-29-26(23)20-12-16-30(17-13-20)15-4-3-14-28-34(31,32)25-9-5-7-19-6-1-2-8-22(19)25/h1-2,5-11,18,20,28H,3-4,12-17H2
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PubMed
 0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50018203
PNG
(CHEMBL3289991)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C22H26FN3O3S/c1-16-4-2-5-19(14-16)30(27,28)24-10-3-11-26-12-8-17(9-13-26)22-20-7-6-18(23)15-21(20)29-25-22/h2,4-7,14-15,17,24H,3,8-13H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50018019
PNG
(CHEMBL3290012)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H26FN3O3S2/c25-19-7-8-20-21(16-19)31-27-24(20)17-9-13-28(14-10-17)12-4-3-11-26-33(29,30)23-15-18-5-1-2-6-22(18)32-23/h1-2,5-8,15-17,26H,3-4,9-14H2
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 0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM85098
PNG
(N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-y...)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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 0.600n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor expressed in HEK-293 cells

Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50258402
PNG
(CHEMBL4065568)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting

J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50018243
PNG
(CHEMBL3290008)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
Show InChI InChI=1S/C26H27ClFN3O3S/c27-21-5-3-20-16-23(7-4-19(20)15-21)35(32,33)29-11-1-2-12-31-13-9-18(10-14-31)26-24-8-6-22(28)17-25(24)34-30-26/h3-8,15-18,29H,1-2,9-14H2
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 0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...

J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50551392
PNG
(CHEMBL4747978)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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PubMed
 0.631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
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