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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'yahiaoui' and Initial = 's'   
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
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079375
PNG
(CHEMBL3417008 | US9663465, 20)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O3/c1-26-20-12-19(23)18(22)11-17(20)21(25)27-14-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13-14,23H2,1H3
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 0.950n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558239
PNG
(CHEMBL4781228)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079377
PNG
(CHEMBL3417007)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-7-9-25(10-8-15)14-16-5-3-2-4-6-16/h11-12,15-16H,2-10,13-14,23H2,1H3,(H,24,26)
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 2.30n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079367
PNG
(CHEMBL3416998)
Show SMILES Cl.COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h12-13,15-16,24H,2-11,14,23H2,1H3
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 2.5n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079365
PNG
(CHEMBL3416996 | US9663465, 8)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3
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 3n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558245
PNG
(CHEMBL4789661)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079366
PNG
(CHEMBL3416997 | US9663465, 12)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3
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 3.90n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079369
PNG
(CHEMBL3417000 | US9663465, 11)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2C)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-16-5-3-4-6-18(16)15-26-11-9-17(10-12-26)7-8-22(27)19-13-20(24)21(25)14-23(19)28-2/h13-14,16-18H,3-12,15,25H2,1-2H3
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 4.90n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558234
PNG
(CHEMBL4780536)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
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 5.30n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558243
PNG
(CHEMBL4746550)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc3OCC(=O)Nc3c2)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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 6.60n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558238
PNG
(CHEMBL4741579)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558241
PNG
(CHEMBL4760149)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079368
PNG
(CHEMBL3416999 | US9663465, 16)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-16-21(25)20(24)15-19(23)22(27)8-7-18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17/h15-18H,2-14,25H2,1H3
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CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558235
PNG
(CHEMBL4799043)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)c(N)c(Br)c2)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079364
PNG
(CHEMBL3416995 | US9663465, 7)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1
Show InChI InChI=1S/C20H29ClN2O2/c1-25-20-12-18(22)17(21)11-16(20)19(24)6-5-14-7-9-23(10-8-14)13-15-3-2-4-15/h11-12,14-15H,2-10,13,22H2,1H3
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 8.80n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM84950
PNG
(CAS_183782 | NSC_183782 | RS 67333)
Show SMILES CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3
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 9.30n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558248
PNG
(CHEMBL4751840)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558247
PNG
(CHEMBL4749344)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079370
PNG
(CHEMBL3417001)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,24H2,1H3
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 14n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079363
PNG
(CHEMBL3414597 | US9663465, 6)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C19H27ClN2O2/c1-24-19-11-17(21)16(20)10-15(19)18(23)5-4-13-6-8-22(9-7-13)12-14-2-3-14/h10-11,13-14H,2-9,12,21H2,1H3
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 15n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558242
PNG
(CHEMBL4799839)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)ccc2Br)CC1
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TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558246
PNG
(CHEMBL4795251)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1
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TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558240
PNG
(CHEMBL4786794)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079371
PNG
(CHEMBL3417002)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-12-19(23)18(22)11-17(21)20(26)5-4-15-6-9-25(10-7-15)14-16-3-2-8-24-13-16/h2-3,8,11-13,15H,4-7,9-10,14,23H2,1H3
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 20n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079372
PNG
(CHEMBL3417003)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h4-5,8-9,12-13,15H,2-3,6-7,10-11,14,23H2,1H3
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 21n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558236
PNG
(CHEMBL4793078)
Show SMILES COc1ccc(cc1Cl)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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 23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558237
PNG
(CHEMBL4788022)
Show SMILES COc1ccc(cc1Br)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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 24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558249
PNG
(CHEMBL4748287)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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 26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542712
PNG
(CHEMBL4647152)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r|
Show InChI InChI=1S/C22H24N4O4S/c23-21(29)18(9-13-5-7-15(27)8-6-13)26-22(30)19(25-20(28)12-31)10-14-11-24-17-4-2-1-3-16(14)17/h1-8,11,18-19,24,27,31H,9-10,12H2,(H2,23,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1
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 41n/an/an/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasB using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as fluorogenic substrate by fluorimetric assay

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558244
PNG
(CHEMBL4751353)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc3OCCN(C)c3c2)CC1
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 50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079376
PNG
(CHEMBL3417005)
Show SMILES CO\N=C(/CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H36ClN3O2/c1-28-23-15-21(25)20(24)14-19(23)22(26-29-2)9-8-17-10-12-27(13-11-17)16-18-6-4-3-5-7-18/h14-15,17-18H,3-13,16,25H2,1-2H3/b26-22+
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 105n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079374
PNG
(CHEMBL3417006)
Show SMILES COc1cc(N)c(Cl)cc1C(O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H35ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,21,26H,2-12,15,24H2,1H3
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 122n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50558235
PNG
(CHEMBL4799043)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)c(N)c(Br)c2)CC1
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 140n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells in presence of serotonin incubated for 60 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50558237
PNG
(CHEMBL4788022)
Show SMILES COc1ccc(cc1Br)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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 147n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells in presence of serotonin incubated for 60 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50558236
PNG
(CHEMBL4793078)
Show SMILES COc1ccc(cc1Cl)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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 158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells in presence of serotonin incubated for 60 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50558234
PNG
(CHEMBL4780536)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
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 160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]+/-DOI from human recombinant 5-HT2C receptor after 60 mins by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079373
PNG
(CHEMBL3417004)
Show SMILES COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O
Show InChI InChI=1S/C22H34ClN3O2/c1-28-22-14-20(24)19(23)13-18(22)21(25-27)8-7-16-9-11-26(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,27H,2-12,15,24H2,1H3/b25-21+
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 193n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50558234
PNG
(CHEMBL4780536)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
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 219n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells in presence of serotonin incubated for 60 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50558234
PNG
(CHEMBL4780536)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
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 330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ketanserin human recombinant 5-HT2A receptor after 60 mins by scintillation counting analysis relative to control

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50558238
PNG
(CHEMBL4741579)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
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 834n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells in presence of serotonin incubated for 60 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50079370
PNG
(CHEMBL3417001)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,24H2,1H3
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n/an/a 8.5n/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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n/an/a 16n/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
Collagenase ColH


(Hathewaya histolytica)		BDBM50542711
PNG
(CHEMBL4640494)
Show SMILES CC(=O)c1ccc(NC(=O)CS)cc1
Show InChI InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
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n/an/a 17n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aromatase


(Homo sapiens (Human))		BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 18n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...

Eur J Med Chem 46: 2541-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.043
BindingDB Entry DOI: 10.7270/Q2MC90CB
More data for this
Ligand-Target Pair
Aromatase [1-48]


(Homo sapiens (Human))		BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 18n/an/an/an/an/an/a



Biomolécules et Cibles Cellulaires Tumorales



Assay Description
The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedion...

Bioorg Chem 32: 494-503 (2004)


Article DOI: 10.1016/j.bioorg.2004.06.008
BindingDB Entry DOI: 10.7270/Q21R6P2Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50079373
PNG
(CHEMBL3417004)
Show SMILES COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O
Show InChI InChI=1S/C22H34ClN3O2/c1-28-22-14-20(24)19(23)13-18(22)21(25-27)8-7-16-9-11-26(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17,27H,2-12,15,24H2,1H3/b25-21+
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n/an/a 24n/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50345191
PNG
(7,8-Benzo-4'-hydroxy-4-imidazolylflavan | CHEMBL17...)
Show SMILES Oc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1
Show InChI InChI=1S/C22H18N2O2/c25-17-8-5-16(6-9-17)21-13-20(24-12-11-23-14-24)19-10-7-15-3-1-2-4-18(15)22(19)26-21/h1-12,14,20-21,25H,13H2
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n/an/a 32n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...

Eur J Med Chem 46: 2541-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.043
BindingDB Entry DOI: 10.7270/Q2MC90CB
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50345190
PNG
(2,4-cis-7,8-benzo-4'-cyano-4-imidazolylflavan | 2,...)
Show SMILES N#Cc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1
Show InChI InChI=1S/C23H17N3O/c24-14-16-5-7-18(8-6-16)22-13-21(26-12-11-25-15-26)20-10-9-17-3-1-2-4-19(17)23(20)27-22/h1-12,15,21-22H,13H2
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n/an/a 34n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...

Eur J Med Chem 46: 2541-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.043
BindingDB Entry DOI: 10.7270/Q2MC90CB
More data for this
Ligand-Target Pair
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