Compile Data Set for Download or QSAR

Found 728 hits with Last Name = 'day' and Initial = 'f'   

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))	BDBM50218166 ((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1 Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218165 ((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1 Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218173 ((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...) Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218170 ((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...) Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218180 ((R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamin...) Show SMILES CCc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O2S/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218168 ((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...) Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218167 ((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...) Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218177 ((R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenox...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1coc(COCc2ccccc2)n1)c1cccnc1 Show InChI InChI=1S/C26H27N3O4/c30-25(22-7-4-12-27-15-22)16-28-13-14-32-23-10-8-21(9-11-23)24-18-33-26(29-24)19-31-17-20-5-2-1-3-6-20/h1-12,15,18,25,28,30H,13-14,16-17,19H2/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218176 ((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thia...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccncc1)c1cccnc1 Show InChI InChI=1S/C23H22N4O2S/c28-22(19-2-1-9-25-14-19)15-26-12-13-29-20-5-3-17(4-6-20)21-16-30-23(27-21)18-7-10-24-11-8-18/h1-11,14,16,22,26,28H,12-13,15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218164 ((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...) Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218182 ((R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)t...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C19H18F3N3O2S/c20-19(21,22)18-25-16(12-28-18)13-3-5-15(6-4-13)27-9-8-24-11-17(26)14-2-1-7-23-10-14/h1-7,10,12,17,24,26H,8-9,11H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218164 ((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...) Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218185 ((1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thi...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1cccnc1)c1cccnc1 Show InChI InChI=1S/C23H22N4O2S/c28-22(18-3-1-9-24-13-18)15-26-11-12-29-20-7-5-17(6-8-20)21-16-30-23(27-21)19-4-2-10-25-14-19/h1-10,13-14,16,22,26,28H,11-12,15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218172 ((R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)eth...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C1CCCC1)c1cccnc1 Show InChI InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218165 ((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1 Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218174 ((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218181 ((R)-2-(2-(4-(5-methyloxazol-4-yl)phenoxy)ethylamin...) Show SMILES Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218166 ((R)-2-(2-(4-(oxazol-4-yl)phenoxy)ethylamino)-1-(py...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1 Show InChI InChI=1S/C18H19N3O3/c22-18(15-2-1-7-19-10-15)11-20-8-9-24-16-5-3-14(4-6-16)17-12-23-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218171 ((R)-2-(2-(4-(2-(methoxymethyl)oxazol-4-yl)phenoxy)...) Show SMILES COCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218170 ((R)-2-(2-(4-(2-(hydroxymethyl)oxazol-4-yl)phenoxy)...) Show SMILES OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O4/c23-12-19-22-17(13-26-19)14-3-5-16(6-4-14)25-9-8-21-11-18(24)15-2-1-7-20-10-15/h1-7,10,13,18,21,23-24H,8-9,11-12H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218167 ((R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethyla...) Show SMILES CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218168 ((R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino...) Show SMILES CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-2-20-23-18(14-26-20)15-5-7-17(8-6-15)25-11-10-22-13-19(24)16-4-3-9-21-12-16/h3-9,12,14,19,22,24H,2,10-11,13H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218173 ((R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamin...) Show SMILES Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C19H21N3O3/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50218174 ((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50218179 ((R)-2-(2-(4-(2,5-dimethyloxazol-4-yl)phenoxy)ethyl...) Show SMILES Cc1nc(c(C)o1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-14-20(23-15(2)26-14)16-5-7-18(8-6-16)25-11-10-22-13-19(24)17-4-3-9-21-12-17/h3-9,12,19,22,24H,10-11,13H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50561618 (CHEMBL4746439) Show SMILES [#7]-[#6@H]1-[#6]=[#6](-[#6]\[#6]-1=[#6](/F)F)-[#6](-[#8])=O |r,c:2| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50561615 (CHEMBL4747359) Show SMILES N[C@H]1C=C(C[C@@H]1F)C(O)=O |r,c:2| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50085233 (3-Amino-4-fluoro-cyclopentanecarboxylic acid | CHE...) Show SMILES N[C@H]1C[C@H](C[C@@H]1F)C(O)=O Show InChI InChI=1S/C6H10FNO2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2,8H2,(H,9,10)/t3-,4-,5-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50135932 ((1S,3S)-3-Amino-4-difluoromethylene-cyclopentaneca...) Show SMILES [#7]-[#6@H]1-[#6]-[#6@H](-[#6]\[#6]-1=[#6](/F)F)-[#6](-[#8])=O Show InChI InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
Ornithine aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50561615 (CHEMBL4747359) Show SMILES N[C@H]1C=C(C[C@@H]1F)C(O)=O |r,c:2| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to ornithine aminotransferase (unknown origin) assessed as inhibition constant by SSDH coupled enzyme based UV-Vis spectrophotometry				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50118886 (4-Amino-hex-5-enoic acid | CHEMBL89598 | US1018980...) Show SMILES NC(CCC(O)=O)C=C Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50561616 (CHEMBL4758952) Show SMILES N[C@H]1C=C(C[C@@H]1Cl)C(O)=O |r,c:2| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.01E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Sus scrofa)	BDBM50561617 (CHEMBL4741430) Show SMILES N[C@H]1C=C(C[C@@H]1Br)C(O)=O |r,c:2| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH cou...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00672 BindingDB Entry DOI: 10.7270/Q2QZ2FPW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146201 (6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...) Show SMILES Oc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146201 (6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...) Show SMILES Oc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146206 (2-Benzyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1...) Show SMILES Oc1ccc2C(N(Cc3ccccc3)CCc2c1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O2/c31-25-10-13-27-24(20-25)14-17-30(21-22-6-2-1-3-7-22)28(27)23-8-11-26(12-9-23)32-19-18-29-15-4-5-16-29/h1-3,6-13,20,28,31H,4-5,14-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146200 ((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530873 (CHEMBL4456215) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-4-3-5-29(13-16)14-17-10-18-19(34-17)21(30-6-8-33-9-7-30)27-20(26-18)15-11-24-22(23)25-12-15/h10-12,16H,3-9,13-14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530873 (CHEMBL4456215) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-4-3-5-29(13-16)14-17-10-18-19(34-17)21(30-6-8-33-9-7-30)27-20(26-18)15-11-24-22(23)25-12-15/h10-12,16H,3-9,13-14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146223 (2-Benzenesulfonyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-...) Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O4S/c30-23-10-13-26-22(20-23)14-17-29(34(31,32)25-6-2-1-3-7-25)27(26)21-8-11-24(12-9-21)33-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146216 (2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl...) Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H32N2O4S/c34-26-12-15-29-25(22-26)16-19-33(38(35,36)30-9-5-7-23-6-1-2-8-28(23)30)31(29)24-10-13-27(14-11-24)37-21-20-32-17-3-4-18-32/h1-2,5-15,22,31,34H,3-4,16-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146200 ((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530894 (CHEMBL4437468) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O Show InChI InChI=1S/C23H30N8O2S/c1-15(32)29(2)17-3-5-30(6-4-17)14-18-11-19-20(34-18)22(31-7-9-33-10-8-31)28-21(27-19)16-12-25-23(24)26-13-16/h11-13,17H,3-10,14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530895 (CHEMBL4590897) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O Show InChI InChI=1S/C26H32N6O3S2/c1-30(37(2,33)34)18-5-4-10-31(16-18)17-19-15-23-24(36-19)26(32-11-13-35-14-12-32)29-25(28-23)21-6-3-7-22-20(21)8-9-27-22/h3,6-9,15,18,27H,4-5,10-14,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530877 (CHEMBL4580111) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)C(C)=O Show InChI InChI=1S/C26H30N6O2S/c1-17(33)30(2)18-7-9-31(15-18)16-19-14-23-24(35-19)26(32-10-12-34-13-11-32)29-25(28-23)21-4-3-5-22-20(21)6-8-27-22/h3-6,8,14,18,27H,7,9-13,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530894 (CHEMBL4437468) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O Show InChI InChI=1S/C23H30N8O2S/c1-15(32)29(2)17-3-5-30(6-4-17)14-18-11-19-20(34-18)22(31-7-9-33-10-8-31)28-21(27-19)16-12-25-23(24)26-13-16/h11-13,17H,3-10,14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair

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