Compile Data Set for Download or QSAR

Found 2286 hits with Last Name = 'robertson' and Initial = 'd'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Neuropsychopharmacology 8: 23-33 (1993) Article DOI: 10.1038/npp.1993.4 BindingDB Entry DOI: 10.7270/Q2XS5SXF
					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 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
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 3A/3B (Rattus norvegicus-RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description pKi value for inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 receptor				J Med Chem 33: 3176-81 (1991) BindingDB Entry DOI: 10.7270/Q2TM7BQG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1B receptor in rat cortical membranes using [3H]5-HT as a radioligand				J Med Chem 33: 3176-81 (1991) BindingDB Entry DOI: 10.7270/Q2TM7BQG
					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
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50228247 (CHEMBL38017 | LY-197055) Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C(C)(C)c2c1 |c:6| Show InChI InChI=1S/C15H17N3O2/c1-8-6-12(19)17-18-13(8)9-4-5-11-10(7-9)15(2,3)14(20)16-11/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement [3H]LY-186,126 from phosphodiesterase 4 of myocardial vesicles				J Med Chem 32: 1476-80 (1989) BindingDB Entry DOI: 10.7270/Q2P271B2
					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
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
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))	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
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
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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50136685 (CHEMBL337822 | [3-Furan-2-yl-3-(naphthalen-1-yloxy...) Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccco1 Show InChI InChI=1S/C18H19NO2/c1-19-12-11-18(17-10-5-13-20-17)21-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,18-19H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand				Bioorg Med Chem Lett 13: 4477-80 (2003) BindingDB Entry DOI: 10.7270/Q24J0DJH
					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
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
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	0.700	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 DA D2 receptor using [3H]-N-methyl-spiperone 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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219969 (CHEMBL23439) Show SMILES CCC(CCOC)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219962 (CHEMBL431105) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C21H24F3N3O/c1-5-7-13(3)27-18(6-2)26-19-16(10-11-25-20(19)27)15-9-8-14(28-4)12-17(15)21(22,23)24/h8-13H,5-7H2,1-4H3	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 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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219962 (CHEMBL431105) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C21H24F3N3O/c1-5-7-13(3)27-18(6-2)26-19-16(10-11-25-20(19)27)15-9-8-14(28-4)12-17(15)21(22,23)24/h8-13H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.740	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))	BDBM50125169 (1-(2-Amino-phenyl)-4-(6bR,10aS)-1,2,6b,9,10,10a-he...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCN2c13 Show InChI InChI=1S/C23H27N3OS/c24-19-7-2-1-5-17(19)21(27)8-4-11-25-12-10-20-18(15-25)16-6-3-9-22-23(16)26(20)13-14-28-22/h1-3,5-7,9,18,20H,4,8,10-15,24H2/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	0.800	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit the reuptake of 5-HT at human serotonin transporter				Bioorg Med Chem Lett 13: 4477-80 (2003) BindingDB Entry DOI: 10.7270/Q24J0DJH
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50220480 (CHEMBL22433) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C Show InChI InChI=1S/C21H27N3O/c1-6-8-15(4)24-19(7-2)23-20-18(11-12-22-21(20)24)17-10-9-16(25-5)13-14(17)3/h9-13,15H,6-8H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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))	BDBM50125151 (1-(2-Amino-phenyl)-4-(7aS,11aR)-5,6,8,9,11,11a-hex...) Show SMILES Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCN2c13 Show InChI InChI=1S/C24H29N3O/c25-21-10-2-1-8-19(21)23(28)11-5-13-26-15-12-22-20(16-26)18-9-3-6-17-7-4-14-27(22)24(17)18/h1-3,6,8-10,20,22H,4-5,7,11-16,25H2/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	0.800	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 2A (Homo sapiens (Human))	BDBM50125177 (CHEMBL162768 | N-[5-Fluoro-2-((7bS,11aR)-4-6,7,8,9...) Show SMILES CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C26H30FN3O2S/c1-17(31)28-22-15-18(27)8-9-20(22)24(32)6-3-11-29-13-10-23-21(16-29)19-5-2-7-25-26(19)30(23)12-4-14-33-25/h2,5,7-9,15,21,23H,3-4,6,10-14,16H2,1H3,(H,28,31)/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	0.800	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 2A (Homo sapiens (Human))	BDBM50125150 (1-(2-Amino-4-fluoro-phenyl)-4-(7bR,11aS)-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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	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
Presenilin-1 (Homo sapiens (Human))	BDBM50476859 (CHEMBL232938) Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O4/c1-16(2)15-21(30)27-24(32)26(13-8-14-26)25(33)28-22-19-11-5-4-9-17(19)18-10-6-7-12-20(18)29(3)23(22)31/h4-7,9-12,16,21-22,30H,8,13-15H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50136672 (CHEMBL342716 | [3-(4-Fluoro-phenyl)-3-(naphthalen-...) Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H20FNO/c1-22-14-13-19(16-9-11-17(21)12-10-16)23-20-8-4-6-15-5-2-3-7-18(15)20/h2-12,19,22H,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand				Bioorg Med Chem Lett 13: 4477-80 (2003) BindingDB Entry DOI: 10.7270/Q24J0DJH
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50087713 ((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-4.03,1.25,;-2.68,.48,;-1.35,1.27,;-1.37,2.81,;-2.86,3.21,;-.02,.5,;-.02,-1.04,;-1.34,-1.81,;-1.34,-3.35,;-2.66,-4.12,;,-4.12,;1.33,-3.35,;2.8,-3.8,;3.7,-2.55,;5.24,-2.53,;2.77,-1.32,;1.33,-1.81,;3.3,-5.26,;2.28,-6.39,;2.77,-7.87,;4.28,-8.16,;4.78,-9.63,;3.76,-10.79,;5.3,-7,;4.79,-5.55,;5.82,-4.4,)| Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Compound was tested for the binding affinity to human corticotropin releasing factor 1 (hCRF1) receptors				J Med Chem 43: 1641-60 (2000) BindingDB Entry DOI: 10.7270/Q29S1RRP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219961 (CHEMBL23483) Show SMILES CCC(CC)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H21Cl2N3/c1-4-13(5-2)24-17(6-3)23-18-15(9-10-22-19(18)24)14-8-7-12(20)11-16(14)21/h7-11,13H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50220485 (CHEMBL23354) Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H21Cl2N3/c1-3-18-24-19-16(15-8-7-14(21)11-17(15)22)9-10-23-20(19)25(18)12(2)13-5-4-6-13/h7-13H,3-6H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219967 (CHEMBL423475) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(C)=O Show InChI InChI=1S/C21H24ClN3O/c1-5-7-13(3)25-19(6-2)24-20-17(10-11-23-21(20)25)16-9-8-15(14(4)26)12-18(16)22/h8-13H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50087706 (CHEMBL265847 | Urotensin-1-sucker fish(NDDPPISIDLT...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)NC(CC(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C210H340N62O67S2/c1-26-103(17)162(200(333)249-124(58-64-155(288)289)181(314)258-138(86-148(215)278)193(326)244-122(56-62-153(284)285)178(311)239-116(44-35-69-228-206(219)220)175(308)243-121(55-61-152(282)283)179(312)242-120(54-60-146(213)276)172(305)234-107(21)169(302)232-94-151(281)236-130(77-97(5)6)185(318)259-140(88-150(217)280)192(325)241-117(45-36-70-229-207(221)222)174(307)238-115(43-33-34-68-211)176(309)255-135(83-111-50-52-113(275)53-51-111)189(322)252-133(80-100(11)12)188(321)260-141(91-159(296)297)195(328)245-125(59-65-156(290)291)183(316)265-161(102(15)16)168(218)301)266-182(315)119(47-38-72-231-209(225)226)237-170(303)108(22)235-173(306)126(66-75-340-24)246-180(313)123(57-63-154(286)287)248-201(334)163(104(18)27-2)267-184(317)127(67-76-341-25)247-194(327)139(87-149(216)279)257-177(310)118(46-37-71-230-208(223)224)240-186(319)131(78-98(7)8)251-187(320)132(79-99(9)10)253-191(324)137(84-112-93-227-96-233-112)256-190(323)136(82-110-41-31-30-32-42-110)261-204(337)166(109(23)274)270-197(330)134(81-101(13)14)254-196(329)142(92-160(298)299)262-202(335)164(105(19)28-3)268-198(331)143(95-273)263-203(336)165(106(20)29-4)269-199(332)144-48-39-73-271(144)205(338)145-49-40-74-272(145)210(339)264-129(90-158(294)295)167(300)128(89-157(292)293)250-171(304)114(212)85-147(214)277/h30-32,41-42,50-53,93,96-109,114-145,161-166,273-275H,26-29,33-40,43-49,54-92,94-95,211-212H2,1-25H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,279)(H2,217,280)(H2,218,301)(H,227,233)(H,232,302)(H,234,305)(H,235,306)(H,236,281)(H,237,303)(H,238,307)(H,239,311)(H,240,319)(H,241,325)(H,242,312)(H,243,308)(H,244,326)(H,245,328)(H,246,313)(H,247,327)(H,248,334)(H,249,333)(H,250,304)(H,251,320)(H,252,322)(H,253,324)(H,254,329)(H,255,309)(H,256,323)(H,257,310)(H,258,314)(H,259,318)(H,260,321)(H,261,337)(H,262,335)(H,263,336)(H,264,339)(H,265,316)(H,266,315)(H,267,317)(H,268,331)(H,269,332)(H,270,330)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H4,219,220,228)(H4,221,222,229)(H4,223,224,230)(H4,225,226,231)/t103-,104-,105-,106-,107-,108-,109?,114?,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128?,129?,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145+,161-,162-,163-,164-,165?,166-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity of the receptor corticotropin releasing factor receptor with peptidic agonists				J Med Chem 43: 1641-60 (2000) BindingDB Entry DOI: 10.7270/Q29S1RRP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219963 (CHEMBL276971) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C20H21ClF3N3/c1-4-6-12(3)27-17(5-2)26-18-15(9-10-25-19(18)27)14-8-7-13(11-16(14)21)20(22,23)24/h7-12H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219963 (CHEMBL276971) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C20H21ClF3N3/c1-4-6-12(3)27-17(5-2)26-18-15(9-10-25-19(18)27)14-8-7-13(11-16(14)21)20(22,23)24/h7-12H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222122 (CHEMBL99286) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C Show InChI InChI=1S/C20H26N4O/c1-6-8-13(3)24-17(7-2)23-19-16(11-12-21-20(19)24)15-9-10-18(25-5)22-14(15)4/h9-13H,6-8H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50136683 (CHEMBL142028 | Methyl-[3-(naphthalen-1-yloxy)-3-th...) Show SMILES CNCCC(Oc1cccc2ccccc12)c1ccsc1 Show InChI InChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand				Bioorg Med Chem Lett 13: 4477-80 (2003) BindingDB Entry DOI: 10.7270/Q24J0DJH
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476878 (CHEMBL399204) Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C27H29F3N4O4/c1-15(2)22(35)33-25(38)26(13-6-14-26)24(37)32-21-23(36)34(3)19-8-5-4-7-18(19)20(31-21)16-9-11-17(12-10-16)27(28,29)30/h4-5,7-12,15,21-22,35H,6,13-14H2,1-3H3,(H,32,37)(H,33,38)/t21-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50125164 (1-(2-Amino-4-fluoro-phenyl)-4-(7aR,11aS)-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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	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
Presenilin-1 (Homo sapiens (Human))	BDBM50476861 (CHEMBL401044) Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)15-31-24(36)26(13-6-14-26)25(37)33-22-23(35)34(3)20-8-5-4-7-19(20)21(32-22)17-9-11-18(12-10-17)27(28,29)30/h4-5,7-12,16,22H,6,13-15H2,1-3H3,(H,31,36)(H,33,37)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (Homo sapiens (Human))	BDBM50087706 (CHEMBL265847 | Urotensin-1-sucker fish(NDDPPISIDLT...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)NC(CC(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C210H340N62O67S2/c1-26-103(17)162(200(333)249-124(58-64-155(288)289)181(314)258-138(86-148(215)278)193(326)244-122(56-62-153(284)285)178(311)239-116(44-35-69-228-206(219)220)175(308)243-121(55-61-152(282)283)179(312)242-120(54-60-146(213)276)172(305)234-107(21)169(302)232-94-151(281)236-130(77-97(5)6)185(318)259-140(88-150(217)280)192(325)241-117(45-36-70-229-207(221)222)174(307)238-115(43-33-34-68-211)176(309)255-135(83-111-50-52-113(275)53-51-111)189(322)252-133(80-100(11)12)188(321)260-141(91-159(296)297)195(328)245-125(59-65-156(290)291)183(316)265-161(102(15)16)168(218)301)266-182(315)119(47-38-72-231-209(225)226)237-170(303)108(22)235-173(306)126(66-75-340-24)246-180(313)123(57-63-154(286)287)248-201(334)163(104(18)27-2)267-184(317)127(67-76-341-25)247-194(327)139(87-149(216)279)257-177(310)118(46-37-71-230-208(223)224)240-186(319)131(78-98(7)8)251-187(320)132(79-99(9)10)253-191(324)137(84-112-93-227-96-233-112)256-190(323)136(82-110-41-31-30-32-42-110)261-204(337)166(109(23)274)270-197(330)134(81-101(13)14)254-196(329)142(92-160(298)299)262-202(335)164(105(19)28-3)268-198(331)143(95-273)263-203(336)165(106(20)29-4)269-199(332)144-48-39-73-271(144)205(338)145-49-40-74-272(145)210(339)264-129(90-158(294)295)167(300)128(89-157(292)293)250-171(304)114(212)85-147(214)277/h30-32,41-42,50-53,93,96-109,114-145,161-166,273-275H,26-29,33-40,43-49,54-92,94-95,211-212H2,1-25H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,279)(H2,217,280)(H2,218,301)(H,227,233)(H,232,302)(H,234,305)(H,235,306)(H,236,281)(H,237,303)(H,238,307)(H,239,311)(H,240,319)(H,241,325)(H,242,312)(H,243,308)(H,244,326)(H,245,328)(H,246,313)(H,247,327)(H,248,334)(H,249,333)(H,250,304)(H,251,320)(H,252,322)(H,253,324)(H,254,329)(H,255,309)(H,256,323)(H,257,310)(H,258,314)(H,259,318)(H,260,321)(H,261,337)(H,262,335)(H,263,336)(H,264,339)(H,265,316)(H,266,315)(H,267,317)(H,268,331)(H,269,332)(H,270,330)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H4,219,220,228)(H4,221,222,229)(H4,223,224,230)(H4,225,226,231)/t103-,104-,105-,106-,107-,108-,109?,114?,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128?,129?,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145+,161-,162-,163-,164-,165?,166-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity of the receptor h-CRF2-alpha with peptidic agonists				J Med Chem 43: 1641-60 (2000) BindingDB Entry DOI: 10.7270/Q29S1RRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| 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/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description pKi value for inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 receptor				J Med Chem 33: 3176-81 (1991) BindingDB Entry DOI: 10.7270/Q2TM7BQG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50219970 (CHEMBL23950) Show SMILES CCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H19Cl2N3/c1-4-11(3)23-16(5-2)22-17-14(8-9-21-18(17)23)13-7-6-12(19)10-15(13)20/h6-11H,4-5H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.30	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
Presenilin-1 (Homo sapiens (Human))	BDBM50476880 (CHEMBL450279) Show SMILES CN1c2ccccc2-c2ccccc2[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O Show InChI InChI=1S/C28H33N3O3/c1-31-23-14-7-6-12-21(23)20-11-4-5-13-22(20)24(25(31)32)30-27(34)28(16-8-17-28)26(33)29-18-15-19-9-2-3-10-19/h4-7,11-14,19,24H,2-3,8-10,15-18H2,1H3,(H,29,33)(H,30,34)/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair

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