Compile Data Set for Download or QSAR

Found 5284 hits with Last Name = 'shim' and Initial = 'h'   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.00420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50369953 (CHEMBL1627022) Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H27BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50185948 (5-hydroxy-2-(4-methylaminophenyl)benzofuran | CHEM...) Show SMILES CNc1ccc(cc1)-c1cc2cc(O)ccc2o1 Show InChI InChI=1S/C15H13NO2/c1-16-12-4-2-10(3-5-12)15-9-11-8-13(17)6-7-14(11)18-15/h2-9,16-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203558 (4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)| Show InChI InChI=1S/C29H35N3O5/c1-34-24-5-4-20(15-32-11-8-19-12-25(35-2)26(36-3)13-21(19)16-32)22-14-27(37-28(22)24)29(33)30-23-17-31-9-6-18(23)7-10-31/h4-5,12-14,18,23H,6-11,15-17H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00791 BindingDB Entry DOI: 10.7270/Q2G44VDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50185947 (5-methoxy-2-(4-methylaminophenyl)benzofuran | CHEM...) Show SMILES CNc1ccc(cc1)-c1cc2cc(OC)ccc2o1 Show InChI InChI=1S/C16H15NO2/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-10,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085048 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00791 BindingDB Entry DOI: 10.7270/Q2G44VDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50185946 (5-methoxy-2-(4-aminophenyl)benzofuran | CHEMBL2052...) Show SMILES COc1ccc2oc(cc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C15H13NO2/c1-17-13-6-7-14-11(8-13)9-15(18-14)10-2-4-12(16)5-3-10/h2-9H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50185950 (5-hydroxy-2-(4-dimethylaminophenyl)benzofuran | CH...) Show SMILES CN(C)c1ccc(cc1)-c1cc2cc(O)ccc2o1 Show InChI InChI=1S/C16H15NO2/c1-17(2)13-5-3-11(4-6-13)16-10-12-9-14(18)7-8-15(12)19-16/h3-10,18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203561 ((4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC Show InChI InChI=1S/C31H39N3O5/c1-36-26-7-6-22(19-32-13-8-21-16-27(37-2)28(38-3)17-23(21)20-32)25-18-29(39-30(25)26)31(35)34-14-9-24(10-15-34)33-11-4-5-12-33/h6-7,16-18,24H,4-5,8-15,19-20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203553 (CHEMBL247664 | N-(2-amino-2-methylpropyl)-4-((6,7-...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC Show InChI InChI=1S/C26H33N3O5/c1-26(2,27)15-28-25(30)23-12-19-17(6-7-20(31-3)24(19)34-23)13-29-9-8-16-10-21(32-4)22(33-5)11-18(16)14-29/h6-7,10-12H,8-9,13-15,27H2,1-5H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Binding affinity to beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50173647 ((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...) Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Binding affinity to beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00791 BindingDB Entry DOI: 10.7270/Q2G44VDK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203559 (2-((2-(furan-2-yl)-7-methoxybenzofuran-4-yl)methyl...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC Show InChI InChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203562 (4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC Show InChI InChI=1S/C26H33N3O5/c1-28(2)11-9-27-26(30)24-14-20-18(6-7-21(31-3)25(20)34-24)15-29-10-8-17-12-22(32-4)23(33-5)13-19(17)16-29/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203557 (3-(4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC Show InChI InChI=1S/C32H37N3O5/c1-34(2)14-12-33-32(36)23-8-6-7-22(15-23)28-18-26-24(9-10-27(37-3)31(26)40-28)19-35-13-11-21-16-29(38-4)30(39-5)17-25(21)20-35/h6-10,15-18H,11-14,19-20H2,1-5H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203556 (6,7-dimethoxy-2-((7-methoxy-2-(pyridin-2-yl)benzof...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccn3)Cc2cc1OC Show InChI InChI=1S/C26H26N2O4/c1-29-22-8-7-18(20-14-23(32-26(20)22)21-6-4-5-10-27-21)15-28-11-9-17-12-24(30-2)25(31-3)13-19(17)16-28/h4-8,10,12-14H,9,11,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203554 (2-((2-(2-fluorophenyl)-7-methoxybenzofuran-4-yl)me...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3F)Cc2cc1OC Show InChI InChI=1S/C27H26FNO4/c1-30-23-9-8-18(21-14-24(33-27(21)23)20-6-4-5-7-22(20)28)15-29-11-10-17-12-25(31-2)26(32-3)13-19(17)16-29/h4-9,12-14H,10-11,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50185949 (5-hydroxy-2-(4-aminophenyl)benzofuran | CHEMBL3804...) Show SMILES Nc1ccc(cc1)-c1cc2cc(O)ccc2o1 Show InChI InChI=1S/C14H11NO2/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,16H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50185945 (5-methoxy-2-(4-dimethylaminophenyl)benzofuran | CH...) Show SMILES COc1ccc2oc(cc2c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C17H17NO2/c1-18(2)14-6-4-12(5-7-14)17-11-13-10-15(19-3)8-9-16(13)20-17/h4-11H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid in human corpse AD brain				J Med Chem 49: 2725-30 (2006) Article DOI: 10.1021/jm051176k BindingDB Entry DOI: 10.7270/Q23B5ZRB
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203563 (6,7-dimethoxy-2-((7-methoxy-2-(2-(trifluoromethyl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3C(F)(F)F)Cc2cc1OC Show InChI InChI=1S/C28H26F3NO4/c1-33-23-9-8-18(15-32-11-10-17-12-25(34-2)26(35-3)13-19(17)16-32)21-14-24(36-27(21)23)20-6-4-5-7-22(20)28(29,30)31/h4-9,12-14H,10-11,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203560 (8-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3cnc(N)n4nc(nc34)-c3ccco3)Cc2cc1OC Show InChI InChI=1S/C21H22N6O3/c1-28-17-8-13-5-6-26(11-14(13)9-18(17)29-2)12-15-10-23-21(22)27-20(15)24-19(25-27)16-4-3-7-30-16/h3-4,7-10H,5-6,11-12H2,1-2H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203565 (6,7-dimethoxy-2-((7-methoxy-2-(3-methoxyphenyl)ben...) Show SMILES COc1cccc(c1)-c1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)ccc(OC)c2o1 Show InChI InChI=1S/C28H29NO5/c1-30-22-7-5-6-19(12-22)25-15-23-20(8-9-24(31-2)28(23)34-25)16-29-11-10-18-13-26(32-3)27(33-4)14-21(18)17-29/h5-9,12-15H,10-11,16-17H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50203555 (6,7-dimethoxy-2-((7-methoxy-2-phenylbenzofuran-4-y...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3)Cc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-29-23-10-9-20(22-15-24(32-27(22)23)18-7-5-4-6-8-18)16-28-12-11-19-13-25(30-2)26(31-3)14-21(19)17-28/h4-10,13-15H,11-12,16-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50369953 (CHEMBL1627022) Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H27BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203558 (4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)| Show InChI InChI=1S/C29H35N3O5/c1-34-24-5-4-20(15-32-11-8-19-12-25(35-2)26(36-3)13-21(19)16-32)22-14-27(37-28(22)24)29(33)30-23-17-31-9-6-18(23)7-10-31/h4-5,12-14,18,23H,6-11,15-17H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50105000 (CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...) Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Rattus norvegicus)	BDBM50333455 ((2S,3S,4S,5S)-2-butyl-5-(hydroxymethyl)pyrrolidine...) Show SMILES CCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H19NO3/c1-2-3-4-6-8(12)9(13)7(5-11)10-6/h6-13H,2-5H2,1H3/t6-,7-,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis				J Med Chem 55: 10347-62 (2012) Article DOI: 10.1021/jm301304e BindingDB Entry DOI: 10.7270/Q2K35VTX
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50019848 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...) Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2| Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203556 (6,7-dimethoxy-2-((7-methoxy-2-(pyridin-2-yl)benzof...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccn3)Cc2cc1OC Show InChI InChI=1S/C26H26N2O4/c1-29-22-8-7-18(20-14-23(32-26(20)22)21-6-4-5-10-27-21)15-28-11-9-17-12-24(30-2)25(31-3)13-19(17)16-28/h4-8,10,12-14H,9,11,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50105000 (CHEMBL175616 | sodium salt of 4-tert-Butyl-N-[6-(2...) Show SMILES COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H28N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203553 (CHEMBL247664 | N-(2-amino-2-methylpropyl)-4-((6,7-...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC Show InChI InChI=1S/C26H33N3O5/c1-26(2,27)15-28-25(30)23-12-19-17(6-7-20(31-3)24(19)34-23)13-29-9-8-16-10-21(32-4)22(33-5)11-18(16)14-29/h6-7,10-12H,8-9,13-15,27H2,1-5H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50203559 (2-((2-(furan-2-yl)-7-methoxybenzofuran-4-yl)methyl...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC Show InChI InChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203561 ((4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC Show InChI InChI=1S/C31H39N3O5/c1-36-26-7-6-22(19-32-13-8-21-16-27(37-2)28(38-3)17-23(21)20-32)25-18-29(39-30(25)26)31(35)34-14-9-24(10-15-34)33-11-4-5-12-33/h6-7,16-18,24H,4-5,8-15,19-20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203559 (2-((2-(furan-2-yl)-7-methoxybenzofuran-4-yl)methyl...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC Show InChI InChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50203557 (3-(4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC Show InChI InChI=1S/C32H37N3O5/c1-34(2)14-12-33-32(36)23-8-6-7-22(15-23)28-18-26-24(9-10-27(37-3)31(26)40-28)19-35-13-11-21-16-29(38-4)30(39-5)17-25(21)20-35/h6-10,15-18H,11-14,19-20H2,1-5H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50203554 (2-((2-(2-fluorophenyl)-7-methoxybenzofuran-4-yl)me...) Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3F)Cc2cc1OC Show InChI InChI=1S/C27H26FNO4/c1-30-23-9-8-18(21-14-24(33-27(21)23)20-6-4-5-7-22(20)28)15-29-11-10-17-12-25(31-2)26(32-3)13-19(17)16-29/h4-9,12-14H,10-11,15-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	299	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells				Bioorg Med Chem Lett 17: 1616-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.094 BindingDB Entry DOI: 10.7270/Q2TD9Z5F
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM23420 (7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha				Bioorg Med Chem Lett 11: 1839-42 (2001) BindingDB Entry DOI: 10.7270/Q29P325H
					More data for this Ligand-Target Pair

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