Compile Data Set for Download or QSAR

Found 1859 hits with Last Name = 'gobbi' 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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603932 ((+)-trans-Ethyl 2-ethyl-2-{[6-({-2-[(fluoromethoxy...) Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2COCF)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603936 ((+)-trans-2-Fluoroethyl 2-ethyl-2-{[6-{[-2-(hydrox...) Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCF |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603935 ((−)-trans-Fluoromethyl 2-ethyl-2-{[6-{[-2-(h...) Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@H]2CO)n1)C(=O)OCF Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643722 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1n[nH]c2=O |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603926 (Ethyl 2-ethyl-2-{[6-{[(1S,2S)-2-(fluoromethyl)cycl...) Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CF)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50601872 (CHEMBL5174733) Show SMILES [11CH3]Oc1ccc2c(NC(=O)Nc3cccc(c3)C(F)(F)F)ccnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643732 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-1,4-dimet...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c(C)nnc12 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603927 (Ethyl 2-ethyl-2-{[6-{[(1R,2S)-2-(fluoromethyl)cycl...) Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@@H]2C[C@@H]2CF)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603938 (3-Fluoropropyl 2-ethyl-2-{[6-{[(1S,2S)-2-(hydroxym...) Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072352 (CHEMBL3409318) Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15| Show InChI InChI=1S/C25H32N2O4/c1-3-31-8-7-27-15-20(23(28)19-5-4-6-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h4-6,15-18H,3,7-14H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643728 ((4S)-8-bromo-7-chloro-6-(2,6-difluorophenyl)-1,4-d...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Br)ccc2-n2c(C)nnc12 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643750 ((4S)-7-chloro-6-(2,6-difluorophenyl)-8-iodo-1,4-di...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(I)ccc2-n2c(C)nnc12 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM419188 (5-[Difluoro(phenyl)methyl]-7-(1,2,5-triazaspiro[2....) Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(nc(nc12)C(F)(F)c1ccccc1)N1CCC2(C1)N=N2 |c:39| Show InChI InChI=1S/C23H17F5N8/c24-22(25,15-7-2-1-3-8-15)20-29-18(35-11-10-21(13-35)32-33-21)17-19(30-20)36(34-31-17)12-14-6-4-5-9-16(14)23(26,27)28/h1-9H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm...				US Patent US10457684 (2019) BindingDB Entry DOI: 10.7270/Q2HM5BT8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643717 ((4S)-8-bromo-7-chloro-6-(2,6-difluorophenyl)-4-met...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Br)ccc2-n2cnnc12 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603938 (3-Fluoropropyl 2-ethyl-2-{[6-{[(1S,2S)-2-(hydroxym...) Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643720 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1cccnn1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM419309 (2-[[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)tr...) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3c(cccc3S(F)(=O)=O)C#C)c2n1 Show InChI InChI=1S/C21H21F3N6O2S/c1-5-13-7-6-8-15(33(24,31)32)14(13)11-30-18-16(27-28-30)17(25-19(26-18)20(2,3)4)29-10-9-21(22,23)12-29/h1,6-8H,9-12H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElme...				US Patent US10457685 (2019) BindingDB Entry DOI: 10.7270/Q2CV4M4D
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643749 (US20240002393, Example 101 | [(4R)-8-bromo-7-chlor...) Show SMILES Cc1nnc2[C@H](CO)N=C(c3c(F)cccc3F)c3c(Cl)c(Br)ccc3-n12 |r,t:8| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643719 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1cnn(C)c1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643718 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1ccncn1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643715 ((4S)-8-bromo-7-chloro-6-(2-fluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2ccccc2F)c2c(Cl)c(Br)ccc2-n2c1nnc2-c1cccnn1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM106438 (US8586579, 27) Show SMILES OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.86,.52,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H30N4O2S/c26-15-20(27)23-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-18-7-14-28-19(18)5-8-22-21/h5,7-8,14,16-17,26H,1-4,6,9-13,15H2,(H,23,27)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM106438 (US8586579, 27) Show SMILES OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.86,.52,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H30N4O2S/c26-15-20(27)23-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-18-7-14-28-19(18)5-8-22-21/h5,7-8,14,16-17,26H,1-4,6,9-13,15H2,(H,23,27)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643736 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1ccc(C)nn1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180718 (US8829029, 18) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:7.7,wD:10.11,(7.88,5.3,;6.39,4.9,;5.99,3.41,;7.48,3.81,;5.99,6.39,;7.08,7.48,;4.5,6.79,;3.41,5.7,;3.81,4.21,;2.72,3.12,;1.23,3.52,;.15,2.43,;-1.34,2.83,;-2.43,1.74,;-2.03,.25,;-3.12,-.84,;-4.61,-.44,;-5.01,1.05,;-3.92,2.14,;-5.7,-1.53,;-7.18,-1.13,;-7.88,-3.7,;-6.39,-4.1,;-5.99,-5.59,;-4.5,-5.99,;-4.1,-7.48,;-3.41,-4.9,;-3.81,-3.41,;-5.3,-3.01,;.84,5.01,;1.93,6.1,)| Show InChI InChI=1S/C24H32FN3O3/c25-18-3-6-20-21(15-18)31-27-22(20)17-8-13-28(14-9-17)12-7-16-1-4-19(5-2-16)26-23(29)24(30)10-11-24/h3,6,15-17,19,30H,1-2,4-5,7-14H2,(H,26,29)/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643743 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1ccnc(C)n1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM106429 (US8586579, 18) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180713 (US8829029, 13) Show SMILES COc1cc(ccn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:11.11,wD:14.15,(9.02,1.13,;8.62,2.62,;7.13,3.01,;6.73,4.5,;5.25,4.9,;4.16,3.81,;4.56,2.32,;6.04,1.93,;4.85,6.39,;5.94,7.48,;3.36,6.79,;2.27,5.7,;2.67,4.21,;1.58,3.12,;.09,3.52,;-1,2.43,;-2.48,2.83,;-3.57,1.74,;-3.17,.25,;-4.26,-.84,;-5.75,-.44,;-6.15,1.05,;-5.06,2.14,;-6.84,-1.53,;-8.33,-1.13,;-9.02,-3.7,;-7.53,-4.1,;-7.13,-5.59,;-5.64,-5.99,;-5.25,-7.48,;-4.56,-4.9,;-4.95,-3.41,;-6.44,-3.01,;-.31,5.01,;.78,6.1,)| Show InChI InChI=1S/C27H33FN4O3/c1-34-25-16-20(8-12-29-25)27(33)30-22-5-2-18(3-6-22)9-13-32-14-10-19(11-15-32)26-23-7-4-21(28)17-24(23)35-31-26/h4,7-8,12,16-19,22H,2-3,5-6,9-11,13-15H2,1H3,(H,30,33)/t18-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180752 (US8829029, 47) Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:6.5,wD:9.9,(8.67,2.41,;8.67,3.95,;7.34,4.72,;8.11,6.06,;6.57,3.39,;6,5.49,;4.67,4.72,;4.67,3.18,;3.33,2.41,;2,3.18,;.67,2.41,;-.67,3.18,;-2,2.41,;-2,.87,;-3.33,.1,;-4.67,.87,;-4.67,2.41,;-3.33,3.18,;-6,.1,;-7.34,.87,;-8.67,-1.44,;-7.34,-2.21,;-7.34,-3.75,;-6,-4.52,;-6,-6.06,;-4.67,-3.75,;-4.67,-2.21,;-6,-1.44,;2,4.72,;3.33,5.49,)| Show InChI InChI=1S/C22H32FN3O3S/c1-2-30(27,28)25-19-6-3-16(4-7-19)9-12-26-13-10-17(11-14-26)22-20-8-5-18(23)15-21(20)29-24-22/h5,8,15-17,19,25H,2-4,6-7,9-14H2,1H3/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM106435 (US8586579, 24) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)| Show InChI InChI=1S/C25H36N4O2S/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603952 (3-Fluoropropyl 2-ethyl-2-{[5-(3-fluoroazetidin-1-y...) Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)C2)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCF |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180723 (US8829029, 23) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc3OCOc3c2)CC1 |r,wU:19.24,wD:16.17,(-4.99,-7.48,;-5.39,-5.99,;-4.3,-4.9,;-4.7,-3.41,;-6.18,-3.01,;-6.58,-1.53,;-8.07,-1.13,;-8.76,-3.7,;-7.27,-4.1,;-6.87,-5.59,;-5.49,-.44,;-4.01,-.84,;-2.92,.25,;-3.32,1.74,;-2.23,2.83,;-.74,2.43,;.35,3.52,;1.84,3.12,;2.93,4.21,;2.53,5.7,;1.04,6.1,;-.05,5.01,;3.62,6.79,;5.1,6.39,;6.19,7.48,;5.5,4.9,;4.41,3.81,;4.81,2.32,;6.3,1.93,;7,.55,;8.52,.79,;8.76,2.32,;7.39,3.01,;6.99,4.5,;-4.8,2.14,;-5.89,1.05,)| Show InChI InChI=1S/C28H32FN3O4/c29-21-4-7-23-25(16-21)36-31-27(23)19-10-13-32(14-11-19)12-9-18-1-5-22(6-2-18)30-28(33)20-3-8-24-26(15-20)35-17-34-24/h3-4,7-8,15-16,18-19,22H,1-2,5-6,9-14,17H2,(H,30,33)/t18-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180709 (US8829029, 9) Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:14.14,wD:17.18,(5.64,-1.05,;7.18,-1.05,;6.1,-2.14,;8.67,-1.45,;6.79,.44,;6.39,1.93,;4.9,2.32,;4.5,3.81,;5.59,4.9,;7.08,4.5,;7.48,3.01,;5.19,6.39,;6.28,7.48,;3.7,6.79,;2.62,5.7,;3.01,4.21,;1.93,3.12,;.44,3.52,;-.65,2.43,;-2.14,2.83,;-3.23,1.74,;-2.83,.25,;-3.92,-.84,;-5.41,-.44,;-5.8,1.05,;-4.72,2.14,;-6.49,-1.53,;-7.98,-1.13,;-8.67,-3.7,;-7.18,-4.1,;-6.79,-5.59,;-5.3,-5.99,;-4.9,-7.48,;-4.21,-4.9,;-4.61,-3.41,;-6.1,-3.01,;.04,5.01,;1.13,6.1,)| Show InChI InChI=1S/C31H40FN3O3/c1-31(2,3)37-26-11-6-23(7-12-26)30(36)33-25-9-4-21(5-10-25)14-17-35-18-15-22(16-19-35)29-27-13-8-24(32)20-28(27)38-34-29/h6-8,11-13,20-22,25H,4-5,9-10,14-19H2,1-3H3,(H,33,36)/t21-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180698 (US8829029, 2) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-6,-5.78,;-6,-4.24,;-4.67,-3.47,;-4.67,-1.93,;-6,-1.16,;-6,.38,;-7.34,1.15,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;2,3.46,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.78,;2,5,;6,5.77,;7.34,5,;8.67,5.77,;7.34,3.46,;6,2.69,;6,1.15,;7.34,.38,;8.67,1.15,;8.67,2.69,;-3.33,3.46,;-4.67,2.69,)| Show InChI InChI=1S/C26H36FN3O3/c27-21-3-6-23-24(17-21)33-29-25(23)19-8-13-30(14-9-19)12-7-18-1-4-22(5-2-18)28-26(31)20-10-15-32-16-11-20/h3,6,17-20,22H,1-2,4-5,7-16H2,(H,28,31)/t18-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603947 (4-Fluorobutyl 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxyme...) Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1)C(=O)OCCCCF |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM603924 (Ethyl 2-ethyl-2-{[6-({(1S,2S)-2-[(fluoromethoxy)me...) Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2COCF)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K93CHD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643740 ((4S)-7-chloro-6-(2,6-difluorophenyl)-1,4-dimethyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(ccc2-n2c(C)nnc12)C(F)(F)F |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50090950 (CHEMBL3582008) Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes				J Med Chem 58: 4266-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b00283 BindingDB Entry DOI: 10.7270/Q2542QBG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180699 (US8829029, 3) Show SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:7.6,wD:10.10,(9.34,.38,;8,1.15,;8,2.69,;6.67,3.46,;6.67,5,;8,5.77,;5.33,5.77,;4,5,;4,3.46,;2.67,2.69,;1.33,3.46,;,2.69,;-1.33,3.46,;-2.67,2.69,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-4,3.46,;-6.67,.38,;-8,1.15,;-9.34,-1.16,;-8,-1.93,;-8,-3.47,;-6.67,-4.24,;-6.67,-5.78,;-5.33,-3.47,;-5.33,-1.93,;-6.67,-1.16,;1.33,5,;2.67,5.78,)| Show InChI InChI=1S/C24H34FN3O3/c1-30-15-11-23(29)26-20-5-2-17(3-6-20)8-12-28-13-9-18(10-14-28)24-21-7-4-19(25)16-22(21)31-27-24/h4,7,16-18,20H,2-3,5-6,8-15H2,1H3,(H,26,29)/t17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM106426 (US8586579, 15) Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)| Show InChI InChI=1S/C21H30N4OS/c1-16(26)23-18-4-2-17(3-5-18)7-10-24-11-13-25(14-12-24)21-19-8-15-27-20(19)6-9-22-21/h6,8-9,15,17-18H,2-5,7,10-14H2,1H3,(H,23,26)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM106430 (US8586579, 19) Show SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)| Show InChI InChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM180755 (US8829029, 50) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1 |r,wU:19.24,wD:16.17,(-7.34,-6.06,;-7.34,-4.52,;-6,-3.75,;-6,-2.21,;-7.34,-1.44,;-7.34,.1,;-8.67,.87,;-10,-1.44,;-8.67,-2.21,;-8.67,-3.75,;-6,.87,;-4.67,.1,;-3.33,.87,;-3.33,2.41,;-2,3.18,;-.67,2.41,;.67,3.18,;2,2.41,;3.33,3.18,;3.33,4.72,;2,5.49,;.67,4.72,;4.67,5.49,;6,4.72,;6.77,6.06,;5.23,3.39,;7.34,3.95,;7.34,2.41,;8.67,1.64,;10,2.41,;10,3.95,;8.67,4.72,;-4.67,3.18,;-6,2.41,)| Show InChI InChI=1S/C25H31FN4O3S/c26-20-5-8-23-24(16-20)33-28-25(23)19-10-14-30(15-11-19)13-9-18-3-6-21(7-4-18)29-34(31,32)22-2-1-12-27-17-22/h1-2,5,8,12,16-19,21,29H,3-4,6-7,9-11,13-15H2/t18-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643755 ((4S)-7-chloro-6-(2,6-difluorophenyl)-1-ethyl-4-met...) Show SMILES CCc1nnc2[C@H](C)N=C(c3c(F)cccc3F)c3c(Cl)c(ccc3-n12)C(F)(F)F |r,t:8| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643726 ((4S)-7-bromo-8-chloro-6-(2,6-difluorophenyl)-4-met...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Br)c(Cl)ccc2-n2c1nnc2-c1cccnn1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643742 ((4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-methyl-...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1cc(C)ncn1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180707 (US8829029, 7) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)Cc2ccc3OCOc3c2)CC1 |r,wU:19.24,wD:16.17,(-6.64,-7.48,;-7.03,-5.99,;-5.95,-4.9,;-6.34,-3.41,;-7.83,-3.01,;-8.23,-1.53,;-9.72,-1.13,;-10.41,-3.7,;-8.92,-4.1,;-8.52,-5.59,;-7.14,-.44,;-5.65,-.84,;-4.56,.25,;-4.96,1.74,;-3.87,2.83,;-2.39,2.43,;-1.3,3.52,;.19,3.12,;1.28,4.21,;.88,5.7,;-.61,6.1,;-1.7,5.01,;1.97,6.79,;3.46,6.39,;4.55,7.48,;3.86,4.9,;5.34,4.5,;5.74,3.01,;7.23,2.62,;8.32,3.7,;9.86,3.62,;10.41,5.06,;9.21,6.03,;7.92,5.19,;6.43,5.59,;-6.45,2.14,;-7.54,1.05,)| Show InChI InChI=1S/C29H34FN3O4/c30-22-4-7-24-26(17-22)37-32-29(24)21-10-13-33(14-11-21)12-9-19-1-5-23(6-2-19)31-28(34)16-20-3-8-25-27(15-20)36-18-35-25/h3-4,7-8,15,17,19,21,23H,1-2,5-6,9-14,16,18H2,(H,31,34)/t19-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 (Homo sapiens (Human))	BDBM643737 (5-[(4S)-7,8-dichloro-6-(2,6-difluorophenyl)-4-meth...) Show SMILES C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(Cl)ccc2-n2c1nnc2-c1cc(C)no1 |r,t:2| Show InChI	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM106433 (US8586579, 22) Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.47,3.19,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180697 (US8829029, 1) Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:4.3,wD:7.7,(6,-5.78,;7.34,-5,;8.67,-5.78,;7.34,-3.47,;6,-2.69,;4.67,-3.47,;3.33,-2.69,;3.33,-1.15,;2,-.38,;2,1.15,;.67,1.93,;-.67,1.15,;-2,1.93,;-2,3.47,;-.67,4.24,;.67,3.47,;-3.33,4.23,;-3.33,5.78,;-6,5.78,;-6,4.23,;-7.34,3.47,;-7.34,1.93,;-8.67,1.15,;-6,1.15,;-4.67,1.93,;-4.67,3.47,;4.67,-.38,;6,-1.15,)| Show InChI InChI=1S/C22H30FN3O2/c1-15(27)24-19-5-2-16(3-6-19)8-11-26-12-9-17(10-13-26)22-20-7-4-18(23)14-21(20)28-25-22/h4,7,14,16-17,19H,2-3,5-6,8-13H2,1H3,(H,24,27)/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180719 (US8829029, 19) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2(CCC2)C(F)(F)F)CC1 |r,wU:19.24,wD:16.17,(-4.85,-7.48,;-5.25,-5.99,;-4.16,-4.9,;-4.56,-3.41,;-6.04,-3.01,;-6.44,-1.53,;-7.93,-1.13,;-8.62,-3.7,;-7.13,-4.1,;-6.73,-5.59,;-5.35,-.44,;-3.86,-.84,;-2.78,.25,;-3.17,1.74,;-2.09,2.83,;-.6,2.43,;.49,3.52,;1.98,3.12,;3.07,4.21,;2.67,5.7,;1.18,6.1,;.09,5.01,;3.76,6.79,;5.25,6.39,;6.33,7.48,;5.64,4.9,;4.87,3.57,;6.21,2.8,;6.98,4.13,;7.13,5.3,;8.62,5.7,;6.73,6.79,;7.53,3.81,;-4.66,2.14,;-5.75,1.05,)| Show InChI InChI=1S/C26H33F4N3O2/c27-19-4-7-21-22(16-19)35-32-23(21)18-9-14-33(15-10-18)13-8-17-2-5-20(6-3-17)31-24(34)25(11-1-12-25)26(28,29)30/h4,7,16-18,20H,1-3,5-6,8-15H2,(H,31,34)/t17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair

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