Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50398590'   

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 4 (RAT)	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.380	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human 5HT4A receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat 5HT4S receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human 5HT4B receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human 5HT4D receptor expressed in HEK293 cells assessed as cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.960	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat 5HT4L receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50398590 (CHEMBL2179583) Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.980	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay				J Med Chem 55: 9240-54 (2012) Article DOI: 10.1021/jm300953p BindingDB Entry DOI: 10.7270/Q2FQ9XRB
					More data for this Ligand-Target Pair