Compile Data Set for Download or QSAR

Found 2131 hits with Last Name = 'fitz' and Initial = 'l'   

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 1A (Homo sapiens (Human))	BDBM50327601 (6-(3-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)pr...) Show SMILES Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12 Show InChI InChI=1S/C25H26FN3O2/c26-22-6-1-4-18-5-2-7-23(24(18)22)29-13-11-28(12-14-29)10-3-15-31-20-9-8-19-17-27-25(30)21(19)16-20/h1-2,4-9,16H,3,10-15,17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0141	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327602 (6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...) Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H27N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-4-11-27-12-14-28(15-13-27)24-8-3-6-19-5-1-2-7-22(19)24/h1-3,5-10,17H,4,11-16,18H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0152	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327603 (6-(3-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)pr...) Show SMILES Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1 Show InChI InChI=1S/C25H26FN3O2/c26-20-7-5-18-3-1-4-24(22(18)15-20)29-12-10-28(11-13-29)9-2-14-31-21-8-6-19-17-27-25(30)23(19)16-21/h1,3-8,15-16H,2,9-14,17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0447	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327604 (6-(3-(4-(chroman-8-yl)piperazin-1-yl)propoxy)isoin...) Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCOc34)cc12 Show InChI InChI=1S/C24H29N3O3/c28-24-21-16-20(8-7-19(21)17-25-24)29-15-3-9-26-10-12-27(13-11-26)22-6-1-4-18-5-2-14-30-23(18)22/h1,4,6-8,16H,2-3,5,9-15,17H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327605 (6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12 Show InChI InChI=1S/C26H28FN3O2/c27-23-7-3-5-19-6-4-8-24(25(19)23)30-14-12-29(13-15-30)11-1-2-16-32-21-10-9-20-18-28-26(31)22(20)17-21/h3-10,17H,1-2,11-16,18H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0504	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50327606 (6-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12 Show InChI InChI=1S/C25H31N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-2-1-11-27-12-14-28(15-13-27)24-8-4-6-19-5-3-7-22(19)24/h4,6,8-10,17H,1-3,5,7,11-16,18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0575	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]-Spiperone from human dopamine D2L receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343274 (7-(4-(4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperaz...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)nc2N1 Show InChI InChI=1S/C26H34N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h5,7,9,11,13H,1-4,6,8,10,12,14-19H2,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
Histamine receptor H4 (GUINEA PIG)	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									Mol Pharmacol 59: 434-41 (2001) Article DOI: 10.1124/mol.59.3.434 BindingDB Entry DOI: 10.7270/Q2Z899ZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327607 (5-(3-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)pr...) Show SMILES Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNCc5c4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O/c26-22-7-5-19-3-1-4-25(24(19)16-22)29-12-10-28(11-13-29)9-2-14-30-23-8-6-20-17-27-18-21(20)15-23/h1,3-8,15-16,27H,2,9-14,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.102	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327608 (6-(3-(4-(isochroman-8-yl)piperazin-1-yl)propoxy)is...) Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCOCc34)cc12 Show InChI InChI=1S/C24H29N3O3/c28-24-21-15-20(6-5-19(21)16-25-24)30-13-2-8-26-9-11-27(12-10-26)23-4-1-3-18-7-14-29-17-22(18)23/h1,3-6,15H,2,7-14,16-17H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.108	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327593 (5-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-21-7-3-5-18-6-4-8-23(25(18)21)31-12-10-30(11-13-31)9-1-2-14-33-24-16-20-19(15-22(24)28)17-29-26(20)32/h3-8,15-16H,1-2,9-14,17H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327609 (7-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Fc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26FN3O2/c26-24-22(10-9-19-17-27-25(30)23(19)24)31-16-4-11-28-12-14-29(15-13-28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-10H,4,11-17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343260 (7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl Show InChI InChI=1S/C22H26Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343277 (7-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)-3,...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1 Show InChI InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
Histamine receptor H4 (GUINEA PIG)	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									Mol Pharmacol 59: 434-41 (2001) Article DOI: 10.1124/mol.59.3.434 BindingDB Entry DOI: 10.7270/Q2Z899ZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327588 (5-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...) Show SMILES C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.149	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
Histamine receptor H4 (GUINEA PIG)	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									Mol Pharmacol 59: 434-41 (2001) Article DOI: 10.1124/mol.59.3.434 BindingDB Entry DOI: 10.7270/Q2Z899ZR
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									Mol Pharmacol 59: 434-41 (2001) Article DOI: 10.1124/mol.59.3.434 BindingDB Entry DOI: 10.7270/Q2Z899ZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327582 (6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)iso...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C26H29N3O2/c30-26-24-18-22(11-10-21(24)19-27-26)31-17-4-3-12-28-13-15-29(16-14-28)25-9-5-7-20-6-1-2-8-23(20)25/h1-2,5-11,18H,3-4,12-17,19H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.151	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343273 (7-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)nc2N1 Show InChI InChI=1S/C25H32N4O2/c30-23-11-9-20-10-12-24(27-25(20)26-23)31-18-2-1-13-28-14-16-29(17-15-28)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,10,12H,1-3,5,7,9,11,13-18H2,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327610 (6-(3-(4-(6,7-difluoronaphthalen-1-yl)piperazin-1-y...) Show SMILES Fc1cc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F Show InChI InChI=1S/C25H25F2N3O2/c26-22-13-17-3-1-4-24(20(17)15-23(22)27)30-10-8-29(9-11-30)7-2-12-32-19-6-5-18-16-28-25(31)21(18)14-19/h1,3-6,13-15H,2,7-12,16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.179	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343276 (7-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)-3,4-d...) Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1 Show InChI InChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000485 ((S)-2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'...) Show SMILES Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2 |wU:18.20,(5.27,-4.79,;6.6,-5.56,;6.6,-7.11,;7.93,-7.88,;8.26,-9.38,;9.8,-9.54,;9.03,-10.87,;9.8,-12.21,;11.35,-12.21,;12.12,-10.87,;11.35,-9.52,;10.41,-8.14,;9.27,-7.11,;9.27,-5.55,;7.93,-4.79,;10.6,-4.77,;10.04,-3.34,;12.12,-5,;13.08,-3.79,;14.6,-4.1,;15.63,-2.95,;15.14,-1.5,;13.64,-1.18,;12.61,-2.34,;13.71,-3.05,;14.57,-2.32,)| Show InChI InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.				J Med Chem 35: 895-903 (1992) BindingDB Entry DOI: 10.7270/Q2SJ1M77
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219966 (CHEMBL23959) Show SMILES CC[C@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H21Cl2N3/c1-3-17(12-5-6-12)25-18(4-2)24-19-15(9-10-23-20(19)25)14-8-7-13(21)11-16(14)22/h7-12,17H,3-6H2,1-2H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro binding affinity to the CRF receptor in rat cortical homogenates				Bioorg Med Chem Lett 13: 125-8 (2003) BindingDB Entry DOI: 10.7270/Q2JM2CV9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125155 (1-(2-Amino-4-fluoro-phenyl)-4-(6bR,10aS)-1,2,6b,9,...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3OCCN2c13 Show InChI InChI=1S/C23H26FN3O2/c24-15-6-7-17(19(25)13-15)21(28)4-2-9-26-10-8-20-18(14-26)16-3-1-5-22-23(16)27(20)11-12-29-22/h1,3,5-7,13,18,20H,2,4,8-12,14,25H2/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327573 (5-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)iso...) Show SMILES C(CCN1CCN(CC1)c1cccc2ccccc12)COc1ccc2CNCc2c1 Show InChI InChI=1S/C26H31N3O/c1-2-8-25-21(6-1)7-5-9-26(25)29-15-13-28(14-16-29)12-3-4-17-30-24-11-10-22-19-27-20-23(22)18-24/h1-2,5-11,18,27H,3-4,12-17,19-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.204	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327611 (5-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1 Show InChI InChI=1S/C26H30FN3O/c27-23-8-6-20-4-3-5-26(25(20)17-23)30-13-11-29(12-14-30)10-1-2-15-31-24-9-7-21-18-28-19-22(21)16-24/h3-9,16-17,28H,1-2,10-15,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.243	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327612 (6-(3-(4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperaz...) Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCCc34)cc12 Show InChI InChI=1S/C25H31N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-4-11-27-12-14-28(15-13-27)24-8-3-6-19-5-1-2-7-22(19)24/h3,6,8-10,17H,1-2,4-5,7,11-16,18H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327575 (6-(4-(4-(isochroman-8-yl)piperazin-1-yl)butoxy)iso...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12 Show InChI InChI=1S/C25H31N3O3/c29-25-22-16-21(7-6-20(22)17-26-25)31-14-2-1-9-27-10-12-28(13-11-27)24-5-3-4-19-8-15-30-18-23(19)24/h3-7,16H,1-2,8-15,17-18H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.279	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]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343283 (7-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1 Show InChI InChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125161 (1-(2-Amino-4-fluoro-phenyl)-4-(6bR,10aS)-1,2,6b,9,...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13 Show InChI InChI=1S/C23H26FN3OS/c24-15-6-7-17(19(25)13-15)21(28)4-2-9-26-10-8-20-18(14-26)16-3-1-5-22-23(16)27(20)11-12-29-22/h1,3,5-7,13,18,20H,2,4,8-12,14,25H2/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50327613 (6-(3-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...) Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCc34)cc12 Show InChI InChI=1S/C24H29N3O2/c28-24-22-16-20(9-8-19(22)17-25-24)29-15-3-10-26-11-13-27(14-12-26)23-7-2-5-18-4-1-6-21(18)23/h2,5,7-9,16H,1,3-4,6,10-15,17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.302	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]-Spiperone from human dopamine D2L receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327587 (7-chloro-6-(3-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12 Show InChI InChI=1S/C25H25ClFN3O2/c26-24-21(9-8-18-16-28-25(31)23(18)24)32-15-3-10-29-11-13-30(14-12-29)20-7-2-5-17-4-1-6-19(27)22(17)20/h1-2,4-9H,3,10-16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327578 (5-fluoro-6-(3-(4-(7-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1ccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1 Show InChI InChI=1S/C25H25F2N3O2/c26-19-6-5-17-3-1-4-23(20(17)14-19)30-10-8-29(9-11-30)7-2-12-32-24-15-21-18(13-22(24)27)16-28-25(21)31/h1,3-6,13-15H,2,7-12,16H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343268 (7-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butoxy)...) Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1C Show InChI InChI=1S/C24H32N4O2/c1-18-6-5-7-21(19(18)2)28-15-13-27(14-16-28)12-3-4-17-30-23-11-9-20-8-10-22(29)25-24(20)26-23/h5-7,9,11H,3-4,8,10,12-17H2,1-2H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125173 (1-(2-Amino-4-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,1...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H28FN3OS/c25-16-7-8-18(20(26)14-16)22(29)5-2-10-27-12-9-21-19(15-27)17-4-1-6-23-24(17)28(21)11-3-13-30-23/h1,4,6-8,14,19,21H,2-3,5,9-13,15,26H2/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007170 (Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phen...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24| Show InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30)/t20-,21+,22-,26?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...				J Med Chem 34: 2633-8 (1991) BindingDB Entry DOI: 10.7270/Q2833R0C
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50084878 (Butyl-[8-(2,4-dichloro-phenyl)-2,7-dimethyl-pyrazo...) Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.56,7.35,;6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1				J Med Chem 43: 449-56 (2000) BindingDB Entry DOI: 10.7270/Q2542P9M
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219965 (CHEMBL430913) Show SMILES CC[C@@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H21Cl2N3/c1-3-17(12-5-6-12)25-18(4-2)24-19-15(9-10-23-20(19)25)14-8-7-13(21)11-16(14)22/h7-12,17H,3-6H2,1-2H3/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro binding affinity to the CRF receptor in rat cortical homogenates				Bioorg Med Chem Lett 13: 125-8 (2003) BindingDB Entry DOI: 10.7270/Q2JM2CV9
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Central Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 273: 1015-22 (1995) BindingDB Entry DOI: 10.7270/Q2QV3K1C
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM82403 (CAS_108186 | CI-988 | NSC_108186) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Central Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 273: 1015-22 (1995) BindingDB Entry DOI: 10.7270/Q2QV3K1C
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50005463 ((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Central Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 273: 1015-22 (1995) BindingDB Entry DOI: 10.7270/Q2QV3K1C
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM82404 (Glycinamide,N-[[[3-(2-sulfoethyl)phenyl]amino]carb...) Show SMILES COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1 Show InChI InChI=1S/C26H27N3O7S/c1-28(21-10-4-3-5-11-21)26(32)29(22-12-7-13-23(17-22)36-2)24(30)18-27-25(31)20-9-6-8-19(16-20)14-15-37(33,34)35/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,31)(H,33,34,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Central Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 273: 1015-22 (1995) BindingDB Entry DOI: 10.7270/Q2QV3K1C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50327611 (5-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)bu...) Show SMILES Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1 Show InChI InChI=1S/C26H30FN3O/c27-23-8-6-20-4-3-5-26(25(20)17-23)30-13-11-29(12-14-30)10-1-2-15-31-24-9-7-21-18-28-19-22(21)16-24/h3-9,16-17,28H,1-2,10-15,18-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.483	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343266 (7-(4-(4-(2-chloro-3-methylphenyl)piperazin-1-yl)bu...) Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl Show InChI InChI=1S/C23H29ClN4O2/c1-17-5-4-6-19(22(17)24)28-14-12-27(13-15-28)11-2-3-16-30-21-10-8-18-7-9-20(29)25-23(18)26-21/h4-6,8,10H,2-3,7,9,11-16H2,1H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222124 (CHEMBL97340) Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C Show InChI InChI=1S/C22H27N3O/c1-5-19(15-7-8-15)25-20(6-2)24-21-18(11-12-23-22(21)25)17-10-9-16(26-4)13-14(17)3/h9-13,15,19H,5-8H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50220479 (CHEMBL23342) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H21Cl2N3/c1-4-6-12(3)24-17(5-2)23-18-15(9-10-22-19(18)24)14-8-7-13(20)11-16(14)21/h7-12H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro binding affinity to the CRF receptor in rat cortical homogenates				Bioorg Med Chem Lett 13: 125-8 (2003) BindingDB Entry DOI: 10.7270/Q2JM2CV9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125154 (1-(2-Amino-4-fluoro-phenyl)-4-(7aS,11aR)-5,6,8,9,1...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13 Show InChI InChI=1S/C24H28FN3O/c25-17-8-9-19(21(26)14-17)23(29)7-3-11-27-13-10-22-20(15-27)18-6-1-4-16-5-2-12-28(22)24(16)18/h1,4,6,8-9,14,20,22H,2-3,5,7,10-13,15,26H2/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327595 (6-(3-(4-(6-fluoronaphthalen-1-yl)piperazin-1-yl)pr...) Show SMILES Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C26H28FN3O2/c1-18-14-20-17-28-26(31)23(20)16-25(18)32-13-3-8-29-9-11-30(12-10-29)24-5-2-4-19-15-21(27)6-7-22(19)24/h2,4-7,14-16H,3,8-13,17H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.517	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50327602 (6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)is...) Show SMILES O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C25H27N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-4-11-27-12-14-28(15-13-27)24-8-3-6-19-5-1-2-7-22(19)24/h1-3,5-10,17H,4,11-16,18H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 5666-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.023 BindingDB Entry DOI: 10.7270/Q2HH6K9S
					More data for this Ligand-Target Pair

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