Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'nie' and Initial = 'y'   

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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019057 ((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...) Show SMILES CNCC(O)c1cc(O)c(O)cc1F Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019059 ((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...) Show SMILES CNCC(O)c1ccc(O)c(O)c1F Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019061 ((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...) Show SMILES NCC(O)c1cc(O)c(O)cc1F Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007476 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50042998 (5-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-d...) Show SMILES NCC(O)c1cc(O)c(O)c(F)c1 Show InChI InChI=1S/C8H10FNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H,3,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM53290 (2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50021546 (4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...) Show SMILES CNCC(O)c1cc(O)ccc1F Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)7-4-6(12)2-3-8(7)10/h2-4,9,11-13H,5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM36024 ((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...) Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1 Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510553 (CHEMBL4482922) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-5-4-6-28(19-25)24-57-31-13-7-27(8-14-31)20-37(41(50)46-58(54,55)33-16-17-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-18-15-32(56-3)21-35(34)38)42(51)29-9-11-30(43)12-10-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50510545 (CHEMBL4439398) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-33(34-20-31(56-2)15-18-37(34)47(24)41(51)27-7-11-29(43)12-8-27)22-39(49)45-36(40(50)46-58(54,55)32-16-17-35(44)38(21-32)48(52)53)19-25-5-13-30(14-6-25)57-23-26-3-9-28(42)10-4-26/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510559 (CHEMBL4544703) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(c4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)14-17-38(35)48(25)42(52)29-8-10-30(43)11-9-29)22-40(50)46-37(41(51)47-59(55,56)33-15-16-36(44)39(21-33)49(53)54)19-26-6-12-31(13-7-26)58-24-28-5-3-4-27(18-28)23-45/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510545 (CHEMBL4439398) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-33(34-20-31(56-2)15-18-37(34)47(24)41(51)27-7-11-29(43)12-8-27)22-39(49)45-36(40(50)46-58(54,55)32-16-17-35(44)38(21-32)48(52)53)19-25-5-13-30(14-6-25)57-23-26-3-9-28(42)10-4-26/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510555 (CHEMBL4515351) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-32(33-20-30(56-2)15-18-37(33)47(24)41(51)26-9-11-28(43)12-10-26)22-39(49)45-36(40(50)46-58(54,55)31-16-17-35(44)38(21-31)48(52)53)19-25-7-13-29(14-8-25)57-23-27-5-3-4-6-34(27)42/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510544 (CHEMBL4439691) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)15-18-38(35)48(25)42(52)29-9-11-30(43)12-10-29)22-40(50)46-37(41(51)47-59(55,56)33-16-17-36(44)39(21-33)49(53)54)19-26-7-13-31(14-8-26)58-24-28-5-3-27(23-45)4-6-28/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50510559 (CHEMBL4544703) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(c4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)14-17-38(35)48(25)42(52)29-8-10-30(43)11-9-29)22-40(50)46-37(41(51)47-59(55,56)33-15-16-36(44)39(21-33)49(53)54)19-26-6-12-31(13-7-26)58-24-28-5-3-4-27(18-28)23-45/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510554 (CHEMBL4528136) Show SMILES COc1cccc(COc2ccc(C[C@H](NC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)c1 |r| Show InChI InChI=1S/C42H36Cl2N4O10S/c1-25-34(35-21-32(57-3)15-18-38(35)47(25)42(51)28-9-11-29(43)12-10-28)23-40(49)45-37(41(50)46-59(54,55)33-16-17-36(44)39(22-33)48(52)53)20-26-7-13-30(14-8-26)58-24-27-5-4-6-31(19-27)56-2/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50510553 (CHEMBL4482922) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-5-4-6-28(19-25)24-57-31-13-7-27(8-14-31)20-37(41(50)46-58(54,55)33-16-17-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-18-15-32(56-3)21-35(34)38)42(51)29-9-11-30(43)12-10-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510566 (CHEMBL4457071) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C41H33Cl2N5O11S/c1-24-33(34-20-31(58-2)15-18-37(34)46(24)41(51)27-7-9-28(42)10-8-27)22-39(49)44-36(40(50)45-60(56,57)32-16-17-35(43)38(21-32)48(54)55)19-25-5-13-30(14-6-25)59-23-26-3-11-29(12-4-26)47(52)53/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,44,49)(H,45,50)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50510555 (CHEMBL4515351) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-32(33-20-30(56-2)15-18-37(33)47(24)41(51)26-9-11-28(43)12-10-26)22-39(49)45-36(40(50)46-58(54,55)31-16-17-35(44)38(21-31)48(52)53)19-25-7-13-29(14-8-25)57-23-27-5-3-4-6-34(27)42/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510562 (CHEMBL4518971) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C41H34Cl2N4O9S/c1-25-33(34-21-31(55-2)16-19-37(34)46(25)41(50)28-10-12-29(42)13-11-28)23-39(48)44-36(20-26-8-14-30(15-9-26)56-24-27-6-4-3-5-7-27)40(49)45-57(53,54)32-17-18-35(43)38(22-32)47(51)52/h3-19,21-22,36H,20,23-24H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50510544 (CHEMBL4439691) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)15-18-38(35)48(25)42(52)29-9-11-30(43)12-10-29)22-40(50)46-37(41(51)47-59(55,56)33-16-17-36(44)39(21-33)49(53)54)19-26-7-13-31(14-8-26)58-24-28-5-3-27(23-45)4-6-28/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510560 (CHEMBL4528001) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2c1 |r| Show InChI InChI=1S/C41H35BrClN3O7S/c1-26-35(36-23-33(52-2)18-21-38(36)46(26)41(49)29-10-14-31(43)15-11-29)24-39(47)44-37(40(48)45-54(50,51)34-19-12-30(42)13-20-34)22-27-8-16-32(17-9-27)53-25-28-6-4-3-5-7-28/h3-21,23,37H,22,24-25H2,1-2H3,(H,44,47)(H,45,48)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510558 (CHEMBL4474774) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc5ccccc45)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C45H36Cl2N4O9S/c1-27-37(38-23-34(59-2)18-21-41(38)50(27)45(54)30-12-14-32(46)15-13-30)25-43(52)48-40(44(53)49-61(57,58)35-19-20-39(47)42(24-35)51(55)56)22-28-10-16-33(17-11-28)60-26-31-8-5-7-29-6-3-4-9-36(29)31/h3-21,23-24,40H,22,25-26H2,1-2H3,(H,48,52)(H,49,53)/t40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510565 (CHEMBL4441493) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(C)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-4-6-28(7-5-25)24-57-31-14-8-27(9-15-31)20-37(41(50)46-58(54,55)33-17-18-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-19-16-32(56-3)21-35(34)38)42(51)29-10-12-30(43)13-11-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510549 (CHEMBL4549139) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C34H27BrCl2N4O8S/c1-19-26(27-16-24(49-2)11-14-30(27)40(19)34(44)21-5-9-23(36)10-6-21)18-32(42)38-29(15-20-3-7-22(35)8-4-20)33(43)39-50(47,48)25-12-13-28(37)31(17-25)41(45)46/h3-14,16-17,29H,15,18H2,1-2H3,(H,38,42)(H,39,43)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510557 (CHEMBL4464658) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2c1 |r| Show InChI InChI=1S/C41H34BrClN4O9S/c1-25-35(36-22-33(55-2)17-20-38(36)46(25)41(50)28-7-11-30(43)12-8-28)23-39(48)44-37(40(49)45-57(53,54)34-18-9-29(42)10-19-34)21-26-5-15-32(16-6-26)56-24-27-3-13-31(14-4-27)47(51)52/h3-20,22,37H,21,23-24H2,1-2H3,(H,44,48)(H,45,49)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510556 (CHEMBL4539624) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r| Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)15-18-38(35)48(25)42(52)27-9-11-30(43)12-10-27)22-40(50)46-37(41(51)47-59(55,56)33-16-17-36(44)39(21-33)49(53)54)19-26-7-13-31(14-8-26)58-24-29-6-4-3-5-28(29)23-45/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019057 ((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...) Show SMILES CNCC(O)c1cc(O)c(O)cc1F Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50042999 (3,6-Difluoro-4-(1-hydroxy-2-methylamino-ethyl)-ben...) Show SMILES CNCC(O)c1cc(F)c(O)c(O)c1F Show InChI InChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50042997 (4-(2-Amino-1-hydroxy-ethyl)-3,5-difluoro-benzene-1...) Show SMILES NCC(O)c1c(F)cc(O)c(O)c1F Show InChI InChI=1S/C8H9F2NO3/c9-3-1-4(12)8(14)7(10)6(3)5(13)2-11/h1,5,12-14H,2,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50042995 (2,4-Difluoro-3-(1-hydroxy-2-methylamino-ethyl)-phe...) Show SMILES CNCC(O)c1c(F)ccc(O)c1F Show InChI InChI=1S/C9H11F2NO2/c1-12-4-7(14)8-5(10)2-3-6(13)9(8)11/h2-3,7,12-14H,4H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50042999 (3,6-Difluoro-4-(1-hydroxy-2-methylamino-ethyl)-ben...) Show SMILES CNCC(O)c1cc(F)c(O)c(O)c1F Show InChI InChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019061 ((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...) Show SMILES NCC(O)c1cc(O)c(O)cc1F Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50021545 (2-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...) Show SMILES CNCC(O)c1cccc(O)c1F Show InChI InChI=1S/C9H12FNO2/c1-11-5-8(13)6-3-2-4-7(12)9(6)10/h2-4,8,11-13H,5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50510552 (CHEMBL4445807) Show SMILES CCCOc1ccc(C[C@H](NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C37H34Cl2N4O9S/c1-4-17-52-26-11-5-23(6-12-26)18-32(36(45)41-53(49,50)28-14-15-31(39)34(20-28)43(47)48)40-35(44)21-29-22(2)42(33-16-13-27(51-3)19-30(29)33)37(46)24-7-9-25(38)10-8-24/h5-16,19-20,32H,4,17-18,21H2,1-3H3,(H,40,44)(H,41,45)/t32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50019060 ((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...) Show SMILES NCC(O)c1ccc(O)c(O)c1F Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067354 (CHEMBL3401826) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 27: 2771-2783 (2019) Article DOI: 10.1016/j.bmc.2019.05.003 BindingDB Entry DOI: 10.7270/Q2765JNW
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50042998 (5-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-d...) Show SMILES NCC(O)c1cc(O)c(O)c(F)c1 Show InChI InChI=1S/C8H10FNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H,3,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50019059 ((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...) Show SMILES CNCC(O)c1ccc(O)c(O)c1F Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50019060 ((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...) Show SMILES NCC(O)c1ccc(O)c(O)c1F Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes				J Med Chem 36: 3947-55 (1994) BindingDB Entry DOI: 10.7270/Q2QC044C
					More data for this Ligand-Target Pair

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