Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'schwalbe' and Initial = 't'   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526679 (CHEMBL4456301) Show SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN |r| Show InChI InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526681 (CHEMBL4537221) Show SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN |r| Show InChI InChI=1S/C26H34N2O4S2/c1-30-26-17-20(9-10-25(26)31-14-16-34-33-15-12-27)11-13-28-18-22(29)19-32-24-8-4-6-21-5-2-3-7-23(21)24/h2-10,17,22,28-29H,11-16,18-19,27H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2short receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526681 (CHEMBL4537221) Show SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN |r| Show InChI InChI=1S/C26H34N2O4S2/c1-30-26-17-20(9-10-25(26)31-14-16-34-33-15-12-27)11-13-28-18-22(29)19-32-24-8-4-6-21-5-2-3-7-23(21)24/h2-10,17,22,28-29H,11-16,18-19,27H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526680 (CHEMBL4463925) Show SMILES COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN |r| Show InChI InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526679 (CHEMBL4456301) Show SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN |r| Show InChI InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG 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
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526684 (CHEMBL4437569) Show SMILES COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN |r| Show InChI InChI=1S/C28H44N2O6S2/c1-22(2)34-14-13-33-20-24-4-7-26(8-5-24)36-21-25(31)19-30-12-10-23-6-9-27(28(18-23)32-3)35-15-17-38-37-16-11-29/h4-9,18,22,25,30-31H,10-17,19-21,29H2,1-3H3/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526686 (CHEMBL4463246) Show SMILES COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN |r| Show InChI InChI=1S/C26H34N2O4S2/c1-30-26-17-20(9-10-25(26)31-14-16-34-33-15-12-27)11-13-28-18-22(29)19-32-24-8-4-6-21-5-2-3-7-23(21)24/h2-10,17,22,28-29H,11-16,18-19,27H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM25751 (Bisoprolol | Bisoprolol fumarate | Concor | [2-hyd...) Show SMILES CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 Show InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526685 (CHEMBL4566666) Show SMILES COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C26H40N2O5S2/c1-30-15-11-21-4-7-24(8-5-21)33-20-23(29)19-28-13-10-22-6-9-25(26(18-22)31-2)32-14-3-16-34-35-17-12-27/h4-9,18,23,28-29H,3,10-17,19-20,27H2,1-2H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526685 (CHEMBL4566666) Show SMILES COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C26H40N2O5S2/c1-30-15-11-21-4-7-24(8-5-21)33-20-23(29)19-28-13-10-22-6-9-25(26(18-22)31-2)32-14-3-16-34-35-17-12-27/h4-9,18,23,28-29H,3,10-17,19-20,27H2,1-2H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526690 (CHEMBL4553747) Show SMILES COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C25H38N2O5S2/c1-29-13-10-20-3-6-23(7-4-20)32-19-22(28)18-27-12-9-21-5-8-24(25(17-21)30-2)31-14-16-34-33-15-11-26/h3-8,17,22,27-28H,9-16,18-19,26H2,1-2H3/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526686 (CHEMBL4463246) Show SMILES COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN |r| Show InChI InChI=1S/C26H34N2O4S2/c1-30-26-17-20(9-10-25(26)31-14-16-34-33-15-12-27)11-13-28-18-22(29)19-32-24-8-4-6-21-5-2-3-7-23(21)24/h2-10,17,22,28-29H,11-16,18-19,27H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526680 (CHEMBL4463925) Show SMILES COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN |r| Show InChI InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526682 (CHEMBL4443911) Show SMILES Cn1cc(nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(c2)C(N)=O)cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H34F3N5O5S2/c1-35-16-24(27(28,29)30)34-26(35)18-2-4-20(5-3-18)40-17-19(36)15-33-9-10-38-21-6-7-23(22(14-21)25(32)37)39-11-13-42-41-12-8-31/h2-7,14,16,19,33,36H,8-13,15,17,31H2,1H3,(H2,32,37)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM25756 ((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...) Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526684 (CHEMBL4437569) Show SMILES COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN |r| Show InChI InChI=1S/C28H44N2O6S2/c1-22(2)34-14-13-33-20-24-4-7-26(8-5-24)36-21-25(31)19-30-12-10-23-6-9-27(28(18-23)32-3)35-15-17-38-37-16-11-29/h4-9,18,22,25,30-31H,10-17,19-21,29H2,1-3H3/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25756 ((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...) Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526690 (CHEMBL4553747) Show SMILES COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C25H38N2O5S2/c1-29-13-10-20-3-6-23(7-4-20)32-19-22(28)18-27-12-9-21-5-8-24(25(17-21)30-2)31-14-16-34-33-15-11-26/h3-8,17,22,27-28H,9-16,18-19,26H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526687 (CHEMBL4576034) Show SMILES Cn1cc(nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(c2)C(N)=O)cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H36F3N5O5S2/c1-36-17-25(28(29,30)31)35-27(36)19-3-5-21(6-4-19)41-18-20(37)16-34-10-12-39-22-7-8-24(23(15-22)26(33)38)40-11-2-13-42-43-14-9-32/h3-8,15,17,20,34,37H,2,9-14,16,18,32H2,1H3,(H2,33,38)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260290 (CHEMBL4086894) Show SMILES OC=O.OCCSSCCOc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H32ClNO4S2/c26-22-7-5-21(6-8-22)25(30)11-14-27(15-12-25)13-1-2-24(29)20-3-9-23(10-4-20)31-17-19-33-32-18-16-28/h3-10,28,30H,1-2,11-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260289 (CHEMBL4100263) Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClN7O2S2/c22-18-5-3-17(4-6-18)21(31)7-11-28(12-8-21)10-1-2-20(30)19-16-29(27-25-19)13-15-33-32-14-9-24-26-23/h3-6,16,31H,1-2,7-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50260290 (CHEMBL4086894) Show SMILES OC=O.OCCSSCCOc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H32ClNO4S2/c26-22-7-5-21(6-8-22)25(30)11-14-27(15-12-25)13-1-2-24(29)20-3-9-23(10-4-20)31-17-19-33-32-18-16-28/h3-10,28,30H,1-2,11-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526683 (CHEMBL4450085) Show SMILES COc1cc(CCNC[C@H](O)COc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)ccc1OCCSSCCN |r| Show InChI InChI=1S/C27H35F3N4O4S2/c1-34-17-25(27(28,29)30)33-26(34)20-4-6-22(7-5-20)38-18-21(35)16-32-11-9-19-3-8-23(24(15-19)36-2)37-12-14-40-39-13-10-31/h3-8,15,17,21,32,35H,9-14,16,18,31H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50260289 (CHEMBL4100263) Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClN7O2S2/c22-18-5-3-17(4-6-18)21(31)7-11-28(12-8-21)10-1-2-20(30)19-16-29(27-25-19)13-15-33-32-14-9-24-26-23/h3-6,16,31H,1-2,7-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526688 (CHEMBL4473272) Show SMILES COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C26H40N2O5S2/c1-30-15-11-21-4-7-24(8-5-21)33-20-23(29)19-28-13-10-22-6-9-25(26(18-22)31-2)32-14-3-16-34-35-17-12-27/h4-9,18,23,28-29H,3,10-17,19-20,27H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25756 ((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...) Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260290 (CHEMBL4086894) Show SMILES OC=O.OCCSSCCOc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H32ClNO4S2/c26-22-7-5-21(6-8-22)25(30)11-14-27(15-12-25)13-1-2-24(29)20-3-9-23(10-4-20)31-17-19-33-32-18-16-28/h3-10,28,30H,1-2,11-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25751 (Bisoprolol | Bisoprolol fumarate | Concor | [2-hyd...) Show SMILES CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 Show InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260289 (CHEMBL4100263) Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H28ClN7O2S2/c22-18-5-3-17(4-6-18)21(31)7-11-28(12-8-21)10-1-2-20(30)19-16-29(27-25-19)13-15-33-32-14-9-24-26-23/h3-6,16,31H,1-2,7-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526688 (CHEMBL4473272) Show SMILES COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C26H40N2O5S2/c1-30-15-11-21-4-7-24(8-5-21)33-20-23(29)19-28-13-10-22-6-9-25(26(18-22)31-2)32-14-3-16-34-35-17-12-27/h4-9,18,23,28-29H,3,10-17,19-20,27H2,1-2H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50260281 (CHEMBL4065455) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCSSCCN Show InChI InChI=1S/C24H33ClN2O3S2/c1-29-23-18-19(2-7-22(23)30-15-17-32-31-16-11-26)8-12-27-13-9-24(28,10-14-27)20-3-5-21(25)6-4-20/h2-7,18,28H,8-17,26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50260282 (CHEMBL4082245) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN Show InChI InChI=1S/C25H35ClN2O3S2/c1-30-24-19-20(3-8-23(24)31-16-2-17-32-33-18-12-27)9-13-28-14-10-25(29,11-15-28)21-4-6-22(26)7-5-21/h3-8,19,29H,2,9-18,27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50260297 (CHEMBL4071729) Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCNC(=O)NCCN2C(=O)C=CC2=O)CC1)c1ccc(Cl)cc1 |c:22| Show InChI InChI=1S/C20H25ClN4O4/c21-16-3-1-15(2-4-16)20(29)7-11-24(12-8-20)13-9-22-19(28)23-10-14-25-17(26)5-6-18(25)27/h1-6,29H,7-14H2,(H2,22,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526689 (CHEMBL4456505) Show SMILES COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C25H38N2O5S2/c1-29-13-10-20-3-6-23(7-4-20)32-19-22(28)18-27-12-9-21-5-8-24(25(17-21)30-2)31-14-16-34-33-15-11-26/h3-8,17,22,27-28H,9-16,18-19,26H2,1-2H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260282 (CHEMBL4082245) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN Show InChI InChI=1S/C25H35ClN2O3S2/c1-30-24-19-20(3-8-23(24)31-16-2-17-32-33-18-12-27)9-13-28-14-10-25(29,11-15-28)21-4-6-22(26)7-5-21/h3-8,19,29H,2,9-18,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260282 (CHEMBL4082245) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN Show InChI InChI=1S/C25H35ClN2O3S2/c1-30-24-19-20(3-8-23(24)31-16-2-17-32-33-18-12-27)9-13-28-14-10-25(29,11-15-28)21-4-6-22(26)7-5-21/h3-8,19,29H,2,9-18,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526689 (CHEMBL4456505) Show SMILES COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 |r| Show InChI InChI=1S/C25H38N2O5S2/c1-29-13-10-20-3-6-23(7-4-20)32-19-22(28)18-27-12-9-21-5-8-24(25(17-21)30-2)31-14-16-34-33-15-11-26/h3-8,17,22,27-28H,9-16,18-19,26H2,1-2H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50526687 (CHEMBL4576034) Show SMILES Cn1cc(nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(c2)C(N)=O)cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H36F3N5O5S2/c1-36-17-25(28(29,30)31)35-27(36)19-3-5-21(6-4-19)41-18-20(37)16-34-10-12-39-22-7-8-24(23(15-22)26(33)38)40-11-2-13-42-43-14-9-32/h3-8,15,17,20,34,37H,2,9-14,16,18,32H2,1H3,(H2,33,38)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260281 (CHEMBL4065455) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCSSCCN Show InChI InChI=1S/C24H33ClN2O3S2/c1-29-23-18-19(2-7-22(23)30-15-17-32-31-16-11-26)8-12-27-13-9-24(28,10-14-27)20-3-5-21(25)6-4-20/h2-7,18,28H,8-17,26H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260297 (CHEMBL4071729) Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCNC(=O)NCCN2C(=O)C=CC2=O)CC1)c1ccc(Cl)cc1 |c:22| Show InChI InChI=1S/C20H25ClN4O4/c21-16-3-1-15(2-4-16)20(29)7-11-24(12-8-20)13-9-22-19(28)23-10-14-25-17(26)5-6-18(25)27/h1-6,29H,7-14H2,(H2,22,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260281 (CHEMBL4065455) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCSSCCN Show InChI InChI=1S/C24H33ClN2O3S2/c1-29-23-18-19(2-7-22(23)30-15-17-32-31-16-11-26)8-12-27-13-9-24(28,10-14-27)20-3-5-21(25)6-4-20/h2-7,18,28H,8-17,26H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair

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