Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'fimognari' and Initial = 'c'   

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
Histone deacetylase 1/REST corepressor 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...				Bioorg Med Chem Lett 28: 1001-1004 (2018) Article DOI: 10.1016/j.bmcl.2018.02.034 BindingDB Entry DOI: 10.7270/Q2280B78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot ...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1/REST corepressor 3 (Homo sapiens (Human))	BDBM50460385 (CHEMBL4228572) Show SMILES Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |r| Show InChI InChI=1S/C34H49N7O6.2ClH/c35-29-23-28(29)24-9-13-26(14-10-24)40-32(44)18-17-30(42)37-21-5-19-36-20-6-22-38-34(46)25-11-15-27(16-12-25)39-31(43)7-3-1-2-4-8-33(45)41-47;;/h9-16,28-29,36,47H,1-8,17-23,35H2,(H,37,42)(H,38,46)(H,39,43)(H,40,44)(H,41,45);2*1H/t28-,29+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...				Bioorg Med Chem Lett 28: 1001-1004 (2018) Article DOI: 10.1016/j.bmcl.2018.02.034 BindingDB Entry DOI: 10.7270/Q2280B78
					More data for this Ligand-Target Pair
Histone deacetylase 1/REST corepressor 3 (Homo sapiens (Human))	BDBM50460386 (CHEMBL4228166) Show SMILES Cl.Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |r| Show InChI InChI=1S/C38H58N8O6.3ClH/c39-33-27-32(33)28-11-15-30(16-12-28)45-36(49)20-19-34(47)42-25-7-23-40-21-5-6-22-41-24-8-26-43-38(51)29-13-17-31(18-14-29)44-35(48)9-3-1-2-4-10-37(50)46-52;;;/h11-18,32-33,40-41,52H,1-10,19-27,39H2,(H,42,47)(H,43,51)(H,44,48)(H,45,49)(H,46,50);3*1H/t32-,33+;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...				Bioorg Med Chem Lett 28: 1001-1004 (2018) Article DOI: 10.1016/j.bmcl.2018.02.034 BindingDB Entry DOI: 10.7270/Q2280B78
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated ...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated f...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494371 (CHEMBL3086339) Show SMILES CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1 Show InChI InChI=1S/C21H34N2S/c1-23(19-21-15-11-10-12-16-21)18-14-9-7-5-3-2-4-6-8-13-17-22-20-24/h10-12,15-16H,2-9,13-14,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of MAOA in human SH-SY5Y cells using p-tyramine as substrate preincubated for 5 mins by Lineweaver-Burk plot analysis				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494371 (CHEMBL3086339) Show SMILES CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1 Show InChI InChI=1S/C21H34N2S/c1-23(19-21-15-11-10-12-16-21)18-14-9-7-5-3-2-4-6-8-13-17-22-20-24/h10-12,15-16H,2-9,13-14,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot ...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494371 (CHEMBL3086339) Show SMILES CN(CCCCCCCCCCCCN=C=S)Cc1ccccc1 Show InChI InChI=1S/C21H34N2S/c1-23(19-21-15-11-10-12-16-21)18-14-9-7-5-3-2-4-6-8-13-17-22-20-24/h10-12,15-16H,2-9,13-14,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated f...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot a...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494368 (CHEMBL1185605) Show SMILES NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.85E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50494369 (CHEMBL3086344) Show SMILES NCCCNCCCCNCCCNCc1cccs1 Show InChI InChI=1S/C15H30N4S/c16-7-4-10-17-8-1-2-9-18-11-5-12-19-14-15-6-3-13-20-15/h3,6,13,17-19H,1-2,4-5,7-12,14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50494370 (CHEMBL3086341) Show SMILES C(CCCCCCNCc1ccccc1)CCCCCNCc1ccccc1 Show InChI InChI=1S/C26H40N2/c1(3-5-7-15-21-27-23-25-17-11-9-12-18-25)2-4-6-8-16-22-28-24-26-19-13-10-14-20-26/h9-14,17-20,27-28H,1-8,15-16,21-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated fo...				Eur J Med Chem 70: 88-101 (2013) Article DOI: 10.1016/j.ejmech.2013.07.005 BindingDB Entry DOI: 10.7270/Q2T156MV
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582046 (CHEMBL5080066) Show SMILES [#6]-[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of degradation of ERalpha in human MCF7 cells at 72 hrs by Western blot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582046 (CHEMBL5080066) Show SMILES [#6]-[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582046 (CHEMBL5080066) Show SMILES [#6]-[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50435003 (ENDOXIFEN) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50582050 (CHEMBL5092560) Show SMILES [#6]-[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of degradation of ERalpha in human MCF7 cells at 72 hrs by Western blot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582050 (CHEMBL5092560) Show SMILES [#6]-[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582048 (CHEMBL5072101) Show SMILES [#6]-[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582052 (CHEMBL5074047) Show SMILES CCC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(43.98,-41.54,;43.98,-40,;42.64,-39.23,;41.31,-40,;41.31,-41.54,;39.98,-42.32,;38.57,-41.7,;37.55,-42.85,;38.32,-44.18,;39.82,-43.86,;42.64,-37.69,;41.31,-36.92,;39.97,-37.7,;38.63,-36.93,;38.64,-35.38,;37.3,-34.61,;39.97,-34.61,;41.3,-35.37,;43.97,-36.92,;45.3,-37.69,;46.63,-36.92,;46.63,-35.38,;47.96,-34.6,;45.29,-34.61,;43.96,-35.38,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582053 (CHEMBL5081446) Show SMILES CC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(63.34,-40.18,;62,-39.41,;60.67,-40.18,;60.67,-41.72,;59.34,-42.5,;57.93,-41.88,;56.91,-43.02,;57.68,-44.36,;59.18,-44.03,;62,-37.87,;60.67,-37.1,;59.33,-37.88,;57.99,-37.1,;58,-35.56,;56.66,-34.79,;59.32,-34.79,;60.66,-35.55,;63.33,-37.1,;64.66,-37.87,;65.99,-37.1,;65.99,-35.56,;67.32,-34.78,;64.65,-34.79,;63.32,-35.56,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582043 (CHEMBL5077976) Show SMILES [#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582052 (CHEMBL5074047) Show SMILES CCC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(43.98,-41.54,;43.98,-40,;42.64,-39.23,;41.31,-40,;41.31,-41.54,;39.98,-42.32,;38.57,-41.7,;37.55,-42.85,;38.32,-44.18,;39.82,-43.86,;42.64,-37.69,;41.31,-36.92,;39.97,-37.7,;38.63,-36.93,;38.64,-35.38,;37.3,-34.61,;39.97,-34.61,;41.3,-35.37,;43.97,-36.92,;45.3,-37.69,;46.63,-36.92,;46.63,-35.38,;47.96,-34.6,;45.29,-34.61,;43.96,-35.38,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582045 (CHEMBL5082681) Show SMILES CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(61.39,-8.48,;60.06,-7.72,;60.06,-6.18,;58.72,-5.41,;57.38,-6.18,;56.05,-5.41,;56.05,-3.87,;54.72,-3.1,;57.38,-3.09,;58.72,-3.86,;61.39,-5.4,;62.72,-6.17,;64.05,-5.4,;64.05,-3.86,;65.38,-3.09,;62.7,-3.09,;61.38,-3.87,;58.73,-8.49,;57.32,-7.86,;56.3,-9.01,;57.07,-10.34,;58.57,-10.02,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of degradation of ERalpha in human MCF7 cells at 72 hrs by Western blot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582045 (CHEMBL5082681) Show SMILES CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(61.39,-8.48,;60.06,-7.72,;60.06,-6.18,;58.72,-5.41,;57.38,-6.18,;56.05,-5.41,;56.05,-3.87,;54.72,-3.1,;57.38,-3.09,;58.72,-3.86,;61.39,-5.4,;62.72,-6.17,;64.05,-5.4,;64.05,-3.86,;65.38,-3.09,;62.7,-3.09,;61.38,-3.87,;58.73,-8.49,;57.32,-7.86,;56.3,-9.01,;57.07,-10.34,;58.57,-10.02,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582051 (CHEMBL5092843) Show SMILES [#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582045 (CHEMBL5082681) Show SMILES CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(61.39,-8.48,;60.06,-7.72,;60.06,-6.18,;58.72,-5.41,;57.38,-6.18,;56.05,-5.41,;56.05,-3.87,;54.72,-3.1,;57.38,-3.09,;58.72,-3.86,;61.39,-5.4,;62.72,-6.17,;64.05,-5.4,;64.05,-3.86,;65.38,-3.09,;62.7,-3.09,;61.38,-3.87,;58.73,-8.49,;57.32,-7.86,;56.3,-9.01,;57.07,-10.34,;58.57,-10.02,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	596	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582047 (CHEMBL5069811) Show SMILES [#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	861	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582050 (CHEMBL5092560) Show SMILES [#6]-[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582044 (CHEMBL5075144) Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(43.14,-9.2,;43.14,-7.66,;41.8,-6.89,;41.8,-5.35,;40.47,-4.58,;39.13,-5.36,;37.8,-4.59,;37.8,-3.04,;36.46,-2.27,;39.13,-2.27,;40.46,-3.03,;43.13,-4.58,;44.46,-5.35,;45.79,-4.58,;45.79,-3.04,;47.12,-2.26,;44.45,-2.27,;43.12,-3.04,;40.48,-7.66,;39.07,-7.04,;38.04,-8.18,;38.81,-9.52,;40.32,-9.19,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	952	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582049 (CHEMBL5087363) Show SMILES [#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582044 (CHEMBL5075144) Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(43.14,-9.2,;43.14,-7.66,;41.8,-6.89,;41.8,-5.35,;40.47,-4.58,;39.13,-5.36,;37.8,-4.59,;37.8,-3.04,;36.46,-2.27,;39.13,-2.27,;40.46,-3.03,;43.13,-4.58,;44.46,-5.35,;45.79,-4.58,;45.79,-3.04,;47.12,-2.26,;44.45,-2.27,;43.12,-3.04,;40.48,-7.66,;39.07,-7.04,;38.04,-8.18,;38.81,-9.52,;40.32,-9.19,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50582042 (CHEMBL5082245) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1cccnc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50501616 (CHEMBL4084089) Show SMILES COc1ccccc1CNCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCNCCCN)c3=O Show InChI InChI=1S/C31H35N5O5/c1-41-25-8-3-2-7-20(25)19-34-16-6-18-36-30(39)23-11-9-21-26-22(10-12-24(27(23)26)31(36)40)29(38)35(28(21)37)17-5-15-33-14-4-13-32/h2-3,7-12,33-34H,4-6,13-19,32H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human topoisomerase-2alpha-mediated relaxation of supercoiled pBR322 DNA after 1 hr by ethidium bromide staining based agarose gel elec...				Eur J Med Chem 128: 107-122 (2017) Article DOI: 10.1016/j.ejmech.2017.01.025 BindingDB Entry DOI: 10.7270/Q2668H7X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582053 (CHEMBL5081446) Show SMILES CC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(63.34,-40.18,;62,-39.41,;60.67,-40.18,;60.67,-41.72,;59.34,-42.5,;57.93,-41.88,;56.91,-43.02,;57.68,-44.36,;59.18,-44.03,;62,-37.87,;60.67,-37.1,;59.33,-37.88,;57.99,-37.1,;58,-35.56,;56.66,-34.79,;59.32,-34.79,;60.66,-35.55,;63.33,-37.1,;64.66,-37.87,;65.99,-37.1,;65.99,-35.56,;67.32,-34.78,;64.65,-34.79,;63.32,-35.56,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582047 (CHEMBL5069811) Show SMILES [#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582048 (CHEMBL5072101) Show SMILES [#6]-[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of degradation of ERalpha in human MCF7 cells at 72 hrs by Western blot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50582048 (CHEMBL5072101) Show SMILES [#6]-[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113733 BindingDB Entry DOI: 10.7270/Q2F76HFC
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50501615 (CHEMBL4091846) Show SMILES COc1ccccc1CNCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCNCCCCNCCCN)c3=O Show InChI InChI=1S/C35H44N6O5/c1-46-29-10-3-2-9-24(29)23-39-20-8-22-41-34(44)27-13-11-25-30-26(12-14-28(31(27)30)35(41)45)33(43)40(32(25)42)21-7-19-38-17-5-4-16-37-18-6-15-36/h2-3,9-14,37-39H,4-8,15-23,36H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human topoisomerase-2alpha-mediated relaxation of supercoiled pBR322 DNA after 1 hr by ethidium bromide staining based agarose gel elec...				Eur J Med Chem 128: 107-122 (2017) Article DOI: 10.1016/j.ejmech.2017.01.025 BindingDB Entry DOI: 10.7270/Q2668H7X
					More data for this Ligand-Target Pair

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