Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'bre´mont' and Initial = 'b'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM29526 (2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50056421 (4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17| Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50056399 (4-Amino-5-chloro-2-methoxy-benzoic acid (R)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50056401 (2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...) Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50282688 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-ethyl-pi...) Show SMILES CCN1CCC(CC1)OC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C15H21ClN2O3/c1-3-18-6-4-10(5-7-18)21-15(19)11-8-12(16)13(17)9-14(11)20-2/h8-10H,3-7,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50282689 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-methyl-p...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CCN(C)CC1 Show InChI InChI=1S/C14H19ClN2O3/c1-17-5-3-9(4-6-17)20-14(18)10-7-11(15)12(16)8-13(10)19-2/h7-9H,3-6,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50282690 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-ethyl-pi...) Show SMILES CCN1CCCC(C1)OC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C15H21ClN2O3/c1-3-18-6-4-5-10(9-18)21-15(19)11-7-12(16)13(17)8-14(11)20-2/h7-8,10H,3-6,9,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50056421 (4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17| Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	64.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50282689 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-methyl-p...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CCN(C)CC1 Show InChI InChI=1S/C14H19ClN2O3/c1-17-5-3-9(4-6-17)20-14(18)10-7-11(15)12(16)8-13(10)19-2/h7-9H,3-6,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50282688 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-ethyl-pi...) Show SMILES CCN1CCC(CC1)OC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C15H21ClN2O3/c1-3-18-6-4-10(5-7-18)21-15(19)11-8-12(16)13(17)9-14(11)20-2/h8-10H,3-7,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50056401 (2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...) Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article	443	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50056399 (4-Amino-5-chloro-2-methoxy-benzoic acid (R)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	753	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM29526 (2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	782	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article	975	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM29526 (2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity was determined by the relaxation of the carbachol-contracted rat esophageal tunica muscularis mucosae				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity was determined by the relaxation of the carbachol-contracted rat esophageal tunica muscularis mucosae				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056399 (4-Amino-5-chloro-2-methoxy-benzoic acid (R)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guine...				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50282689 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-methyl-p...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CCN(C)CC1 Show InChI InChI=1S/C14H19ClN2O3/c1-17-5-3-9(4-6-17)20-14(18)10-7-11(15)12(16)8-13(10)19-2/h7-9H,3-6,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guine...				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056401 (2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...) Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guine...				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guine...				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50282688 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-ethyl-pi...) Show SMILES CCN1CCC(CC1)OC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C15H21ClN2O3/c1-3-18-6-4-10(5-7-18)21-15(19)11-8-12(16)13(17)9-14(11)20-2/h8-10H,3-7,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056421 (4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17| Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM29526 (2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056401 (2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...) Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056399 (4-Amino-5-chloro-2-methoxy-benzoic acid (R)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50282690 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-ethyl-pi...) Show SMILES CCN1CCCC(C1)OC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C15H21ClN2O3/c1-3-18-6-4-5-10(9-18)21-15(19)11-7-12(16)13(17)8-14(11)20-2/h7-8,10H,3-6,9,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50282689 (4-Amino-5-chloro-2-methoxy-benzoic acid 1-methyl-p...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CCN(C)CC1 Show InChI InChI=1S/C14H19ClN2O3/c1-17-5-3-9(4-6-17)20-14(18)10-7-11(15)12(16)8-13(10)19-2/h7-9H,3-6,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair