Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 5065   

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 (MOUSE)	BDBM85020 (5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...) Show SMILES COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1 Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM85020 (5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...) Show SMILES COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1 Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM29525 (3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...) Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM29525 (3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...) Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM85019 (4-Amino-5-chloro-N-(1-{4-[4-(dimethylamino)-1-pipe...) Show SMILES COC1CN(CCCC(=O)N2CCC(CC2)N(C)C)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C25H40ClN5O4/c1-29(2)17-7-12-31(13-8-17)24(32)6-5-10-30-11-9-21(23(16-30)35-4)28-25(33)18-14-19(26)20(27)15-22(18)34-3/h14-15,17,21,23H,5-13,16,27H2,1-4H3,(H,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM85019 (4-Amino-5-chloro-N-(1-{4-[4-(dimethylamino)-1-pipe...) Show SMILES COC1CN(CCCC(=O)N2CCC(CC2)N(C)C)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C25H40ClN5O4/c1-29(2)17-7-12-31(13-8-17)24(32)6-5-10-30-11-9-21(23(16-30)35-4)28-25(33)18-14-19(26)20(27)15-22(18)34-3/h14-15,17,21,23H,5-13,16,27H2,1-4H3,(H,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50005833 ((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50005833 ((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12 Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM84648 (BIMU 8) Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50007863 (6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...) Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM84648 (BIMU 8) Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	40.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	51.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50007863 (6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...) Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	55.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	56.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50007871 (CHEMBL8197 | ICS 205-930 | TROPISETRON) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	87.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM82422 (CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	97.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM82422 (CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM50007871 (CHEMBL8197 | ICS 205-930 | TROPISETRON) Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM82087 (2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...) Show SMILES COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM82087 (2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...) Show SMILES COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	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 PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (MOUSE)	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR 9023 Curated by PDSP Ki Database									FEBS Lett 398: 19-25 (1996) Article DOI: 10.1016/s0014-5793(96)01132-5 BindingDB Entry DOI: 10.7270/Q228065Q
					More data for this Ligand-Target Pair