Compile Data Set for Download or QSAR

Found 755 hits with Last Name = 'fitzgerald' and Initial = 'lw'   

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 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 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
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 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
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))	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
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
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
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
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
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
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
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 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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50327590 (7-fluoro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazi...) Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12 Show InChI InChI=1S/C26H27F2N3O2/c27-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-22-10-9-19-17-29-26(32)24(19)25(22)28/h3-10H,1-2,11-17H2,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.568	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50327581 (6-(4-(4-(1,3-dihydroisobenzofuran-4-yl)piperazin-1...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12 Show InChI InChI=1S/C24H29N3O3/c28-24-21-14-20(7-6-18(21)15-25-24)30-13-2-1-8-26-9-11-27(12-10-26)23-5-3-4-19-16-29-17-22(19)23/h3-7,14H,1-2,8-13,15-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.575	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50327614 (6-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)isoind...) Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12 Show InChI InChI=1S/C25H31N3O3/c29-25-22-17-21(9-8-20(22)18-26-25)30-15-2-1-10-27-11-13-28(14-12-27)23-7-3-5-19-6-4-16-31-24(19)23/h3,5,7-9,17H,1-2,4,6,10-16,18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.576	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
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50084876 (CHEMBL344223 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...) Show SMILES CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;3.54,6.69,;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/c1-5-9-25(10-6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-8-7-14(20)11-16(15)21/h7-8,11H,5-6,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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)	BDBM50222115 (CHEMBL100157) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F Show InChI InChI=1S/C20H23F3N4O/c1-5-7-12(3)27-15(6-2)25-17-13(10-11-24-19(17)27)14-8-9-16(28-4)26-18(14)20(21,22)23/h8-12H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.600	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125170 (1-(2-Amino-4-fluoro-phenyl)-4-(7bS,11aR)-4,5,6,7,8...) Show SMILES Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13 Show InChI InChI=1S/C25H30FN3O/c26-18-9-10-20(22(27)15-18)24(30)8-4-12-28-14-11-23-21(16-28)19-7-3-6-17-5-1-2-13-29(23)25(17)19/h3,6-7,9-10,15,21,23H,1-2,4-5,8,11-14,16,27H2/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50220478 (CHEMBL22622) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cc(C)c(OC)cc1C Show InChI InChI=1S/C22H29N3O/c1-7-9-16(5)25-20(8-2)24-21-17(10-11-23-22(21)25)18-12-15(4)19(26-6)13-14(18)3/h10-13,16H,7-9H2,1-6H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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))	BDBM50125174 (1-(2-Amino-phenyl)-4-(7bS,11aR)-6,7,8,9,11,11a-hex...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H29N3OS/c25-20-8-2-1-6-18(20)22(28)9-4-12-26-14-11-21-19(16-26)17-7-3-10-23-24(17)27(21)13-5-15-29-23/h1-3,6-8,10,19,21H,4-5,9,11-16,25H2/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	0.600	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219957 (CHEMBL3085294) Show SMILES CCc1nc2c(ccnc2n1[C@H](C)C1CC1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2N3/c1-3-17-23-18-15(14-7-6-13(20)10-16(14)21)8-9-22-19(18)24(17)11(2)12-4-5-12/h6-12H,3-5H2,1-2H3/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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 1A (Homo sapiens (Human))	BDBM50327580 (7-methyl-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C26H29N3O2/c1-19-24(11-10-21-18-27-26(30)25(19)21)31-17-5-12-28-13-15-29(16-14-28)23-9-4-7-20-6-2-3-8-22(20)23/h2-4,6-11H,5,12-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.615	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))	BDBM50327615 (5-fluoro-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)b...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C26H28FN3O2/c27-23-16-20-18-28-26(31)22(20)17-25(23)32-15-4-3-10-29-11-13-30(14-12-29)24-9-5-7-19-6-1-2-8-21(19)24/h1-2,5-9,16-17H,3-4,10-15,18H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.637	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))	BDBM50327598 (5-methyl-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C26H29N3O2/c1-19-16-21-18-27-26(30)23(21)17-25(19)31-15-5-10-28-11-13-29(14-12-28)24-9-4-7-20-6-2-3-8-22(20)24/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	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))	BDBM50327586 (5-fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)p...) Show SMILES Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H26FN3O2/c26-22-15-19-17-27-25(30)21(19)16-24(22)31-14-4-9-28-10-12-29(13-11-28)23-8-3-6-18-5-1-2-7-20(18)23/h1-3,5-8,15-16H,4,9-14,17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.671	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
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50084880 (CHEMBL140894 | Cyclopropylmethyl-[8-(2,4-dichloro-...) Show SMILES CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-1.4,5.04,;-1.08,3.53,;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/C20H23Cl2N5/c1-4-9-26(11-14-5-6-14)20-24-13(3)23-19-18(12(2)25-27(19)20)16-8-7-15(21)10-17(16)22/h7-8,10,14H,4-6,9,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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)	BDBM50222117 (CHEMBL328163) Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F Show InChI InChI=1S/C21H23F3N4O/c1-4-15(12-6-7-12)28-16(5-2)26-18-13(10-11-25-20(18)28)14-8-9-17(29-3)27-19(14)21(22,23)24/h8-12,15H,4-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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)	BDBM50222119 (CHEMBL316624) Show SMILES CCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F Show InChI InChI=1S/C19H21F3N4O/c1-5-11(3)26-14(6-2)24-16-12(9-10-23-18(16)26)13-7-8-15(27-4)25-17(13)19(20,21)22/h7-11H,5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125163 (1-(2-Amino-phenyl)-4-(7bS,11aR)-4,5,6,7,8,9,11,11a...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13 Show InChI InChI=1S/C25H31N3O/c26-22-11-2-1-9-20(22)24(29)12-6-14-27-16-13-23-21(17-27)19-10-5-8-18-7-3-4-15-28(23)25(18)19/h1-2,5,8-11,21,23H,3-4,6-7,12-17,26H2/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219954 (CHEMBL283993) Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(OC(F)F)cc1Cl Show InChI InChI=1S/C21H22ClF2N3O/c1-3-18-26-19-16(15-8-7-14(11-17(15)22)28-21(23)24)9-10-25-20(19)27(18)12(2)13-5-4-6-13/h7-13,21H,3-6H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	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 against Corticotropin releasing factor 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

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