Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50041933   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418943 (CHEMBL1807821) Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418942 (CHEMBL1807822) Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418944 (CHEMBL1807819) Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418958 (CHEMBL1807820) Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418945 (CHEMBL1807818) Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418946 (CHEMBL1807817) Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418948 (CHEMBL1807870) Show SMILES O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-11-13-30-12-3-9-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418957 (CHEMBL1807824) Show SMILES CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C24H33N3O3S2/c1-2-17-4-6-18(7-5-17)10-12-25-11-3-14-31-15-13-26-16-21(29)19-8-9-20(28)22-23(19)32-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418939 (CHEMBL1807873) Show SMILES O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27Cl2N3O4S/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418938 (CHEMBL1807872) Show SMILES O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O4S/c23-16-4-1-3-15(13-16)7-9-24-10-12-30-11-2-8-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418937 (CHEMBL1807871) Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418952 (CHEMBL1807829) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-8-2-11-31-12-10-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418950 (CHEMBL1807832) Show SMILES O[C@@H](CNCCOCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O4S/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418956 (CHEMBL1807826) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C23H28F3N3O3S2/c24-23(25,26)16-4-1-3-15(13-16)7-9-27-8-2-11-33-12-10-28-14-19(31)17-5-6-18(30)20-21(17)34-22(32)29-20/h1,3-6,13,19,27-28,30-31H,2,7-12,14H2,(H,29,32)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418949 (CHEMBL1807869) Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-10-12-30-11-2-8-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418953 (CHEMBL1807828) Show SMILES O[C@@H](CNCCSCCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-9-3-12-30-13-11-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418940 (CHEMBL1807825) Show SMILES CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C24H33N3O4S2/c1-2-31-18-6-4-17(5-7-18)10-12-25-11-3-14-32-15-13-26-16-21(29)19-8-9-20(28)22-23(19)33-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418951 (CHEMBL1807830) Show SMILES O[C@@H](CNCCS(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O4S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-32(30)12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418954 (CHEMBL1807827) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418958 (CHEMBL1807820) Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418941 (CHEMBL1807823) Show SMILES O[C@@H](CNCCSCCCNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H29N3O3S2/c26-18-8-7-17(21-20(18)25-22(28)30-21)19(27)15-24-12-14-29-13-4-10-23-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23-24,26-27H,4,9-15H2,(H,25,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318159 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418952 (CHEMBL1807829) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-8-2-11-31-12-10-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418947 (CHEMBL1807874) Show SMILES CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 |r| Show InChI InChI=1S/C23H31N3O4S/c1-26(12-10-17-6-3-2-4-7-17)13-15-30-14-5-11-24-16-20(28)18-8-9-19(27)21-22(18)31-23(29)25-21/h2-4,6-9,20,24,27-28H,5,10-16H2,1H3,(H,25,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418956 (CHEMBL1807826) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C23H28F3N3O3S2/c24-23(25,26)16-4-1-3-15(13-16)7-9-27-8-2-11-33-12-10-28-14-19(31)17-5-6-18(30)20-21(17)34-22(32)29-20/h1,3-6,13,19,27-28,30-31H,2,7-12,14H2,(H,29,32)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418944 (CHEMBL1807819) Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM86453 (CAS_73573-87-2 | Formoterol | NSC_3083544) Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418955 (CHEMBL1807831) Show SMILES O[C@@H](CNCCS(=O)(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O5S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-33(30,31)12-10-25-14-19(28)17-5-6-18(27)20-21(17)32-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418954 (CHEMBL1807827) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418943 (CHEMBL1807821) Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418955 (CHEMBL1807831) Show SMILES O[C@@H](CNCCS(=O)(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O5S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-33(30,31)12-10-25-14-19(28)17-5-6-18(27)20-21(17)32-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418945 (CHEMBL1807818) Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418942 (CHEMBL1807822) Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418937 (CHEMBL1807871) Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418946 (CHEMBL1807817) Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418948 (CHEMBL1807870) Show SMILES O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-11-13-30-12-3-9-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418949 (CHEMBL1807869) Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-10-12-30-11-2-8-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418953 (CHEMBL1807828) Show SMILES O[C@@H](CNCCSCCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-9-3-12-30-13-11-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418939 (CHEMBL1807873) Show SMILES O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27Cl2N3O4S/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418957 (CHEMBL1807824) Show SMILES CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C24H33N3O3S2/c1-2-17-4-6-18(7-5-17)10-12-25-11-3-14-31-15-13-26-16-21(29)19-8-9-20(28)22-23(19)32-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418947 (CHEMBL1807874) Show SMILES CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 |r| Show InChI InChI=1S/C23H31N3O4S/c1-26(12-10-17-6-3-2-4-7-17)13-15-30-14-5-11-24-16-20(28)18-8-9-19(27)21-22(18)31-23(29)25-21/h2-4,6-9,20,24,27-28H,5,10-16H2,1H3,(H,25,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418938 (CHEMBL1807872) Show SMILES O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O4S/c23-16-4-1-3-15(13-16)7-9-24-10-12-30-11-2-8-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418950 (CHEMBL1807832) Show SMILES O[C@@H](CNCCOCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O4S/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418951 (CHEMBL1807830) Show SMILES O[C@@H](CNCCS(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O4S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-32(30)12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418941 (CHEMBL1807823) Show SMILES O[C@@H](CNCCSCCCNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H29N3O3S2/c26-18-8-7-17(21-20(18)25-22(28)30-21)19(27)15-24-12-14-29-13-4-10-23-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23-24,26-27H,4,9-15H2,(H,25,28)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418940 (CHEMBL1807825) Show SMILES CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C24H33N3O4S2/c1-2-31-18-6-4-17(5-7-18)10-12-25-11-3-14-32-15-13-26-16-21(29)19-8-9-20(28)22-23(19)33-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86453 (CAS_73573-87-2 | Formoterol | NSC_3083544) Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair

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