Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'borgogno' and Initial = 'm'   

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
Acid ceramidase (Homo sapiens (Human))	BDBM50238556 (CHEMBL4093029) Show SMILES Nc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C18H20N4O/c19-17-21-15-11-4-5-12-16(15)22(17)18(23)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,21)(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238557 (CHEMBL4103207) Show SMILES Cc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O/c1-15-21-17-12-5-6-13-18(17)22(15)19(23)20-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of noradrenaline uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238562 (CHEMBL4084295) Show SMILES O=C(NCCCCc1ccccc1)n1nnc2ncccc12 Show InChI InChI=1S/C16H17N5O/c22-16(21-14-10-6-12-17-15(14)19-20-21)18-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,18,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238574 (CHEMBL4092051) Show SMILES O=C(NCCCCc1ccccc1)n1nnc2ccccc12 Show InChI InChI=1S/C17H18N4O/c22-17(21-16-12-5-4-11-15(16)19-20-21)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,18,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238573 (CHEMBL4062592) Show SMILES CCCCCCNC(=O)n1nnc2ncccc12 Show InChI InChI=1S/C12H17N5O/c1-2-3-4-5-8-14-12(18)17-10-7-6-9-13-11(10)15-16-17/h6-7,9H,2-5,8H2,1H3,(H,14,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238572 (CHEMBL4065362) Show SMILES CCCCCCNC(=O)n1c(N)nc2ccccc12 Show InChI InChI=1S/C14H20N4O/c1-2-3-4-7-10-16-14(19)18-12-9-6-5-8-11(12)17-13(18)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,17)(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of noradrenaline uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238569 (CHEMBL4075447) Show SMILES O=C(NCCCCc1ccccc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H18N2O3/c22-17-15-11-4-5-12-16(15)18(23)21(17)19(24)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238568 (CHEMBL4100744) Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238578 (CHEMBL4071239) Show SMILES CCCCCCNC(=O)n1nnc2ccccc12 Show InChI InChI=1S/C13H18N4O/c1-2-3-4-7-10-14-13(18)17-12-9-6-5-8-11(12)15-16-17/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238558 (CHEMBL4075028) Show SMILES O=C(NCCCCc1ccccc1)n1ncc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-17-12-5-4-11-16(17)14-20-21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238563 (Benzoimidazole-1-Carboxylic Acid Hexylamide | CHEM...) Show SMILES CCCCCCNC(=O)n1cnc2ccccc12 Show InChI InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-11-16-12-8-5-6-9-13(12)17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of noradrenaline uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238570 (CHEMBL4089655) Show SMILES CCCCCCNC(=O)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H18N2O3/c1-2-3-4-7-10-16-15(20)17-13(18)11-8-5-6-9-12(11)14(17)19/h5-6,8-9H,2-4,7,10H2,1H3,(H,16,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238577 (CHEMBL4096883) Show SMILES Cc1ccc(CNC(=O)n2c(N)nc3ccccc23)cc1 Show InChI InChI=1S/C16H16N4O/c1-11-6-8-12(9-7-11)10-18-16(21)20-14-5-3-2-4-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238576 (CHEMBL4076230) Show SMILES Cc1cccc(CNC(=O)n2cnc3ccccc23)c1 Show InChI InChI=1S/C16H15N3O/c1-12-5-4-6-13(9-12)10-17-16(20)19-11-18-14-7-2-3-8-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238561 (CHEMBL4101140) Show SMILES Cc1cccc(CNC(=O)n2c(N)nc3ccccc23)c1 Show InChI InChI=1S/C16H16N4O/c1-11-5-4-6-12(9-11)10-18-16(21)20-14-8-3-2-7-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238565 (CHEMBL4095461) Show SMILES CCCCCCNC(=O)n1ncc2ccccc12 Show InChI InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-13-9-6-5-8-12(13)11-16-17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238554 (CHEMBL4094489) Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238566 (CHEMBL4075846) Show SMILES Cc1ccc(CNC(=O)n2cnc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-17-16(20)19-11-18-14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238571 (CHEMBL4099796) Show SMILES O=C(NCCCCc1ccccc1)n1c2ccccc2n(C(=O)NCCCCc2ccccc2)c1=O Show InChI InChI=1S/C29H32N4O3/c34-27(30-21-11-9-17-23-13-3-1-4-14-23)32-25-19-7-8-20-26(25)33(29(32)36)28(35)31-22-12-10-18-24-15-5-2-6-16-24/h1-8,13-16,19-20H,9-12,17-18,21-22H2,(H,30,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50431275 (CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...) Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238555 (CHEMBL4076865) Show SMILES O=C(NCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-11-17-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238567 (CHEMBL4075647) Show SMILES Nc1nc2ccccc2n1C(=O)NCc1ccccc1 Show InChI InChI=1S/C15H14N4O/c16-14-18-12-8-4-5-9-13(12)19(14)15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18)(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human COX1				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00774 BindingDB Entry DOI: 10.7270/Q26H4N2X
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238575 (CHEMBL4077199) Show SMILES Cc1ccccc1CNC(=O)n1cnc2ccccc12 Show InChI InChI=1S/C16H15N3O/c1-12-6-2-3-7-13(12)10-17-16(20)19-11-18-14-8-4-5-9-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238559 (CHEMBL4090927) Show SMILES Cc1ccccc1CNC(=O)n1c(N)nc2ccccc12 Show InChI InChI=1S/C16H16N4O/c1-11-6-2-3-7-12(11)10-18-16(21)20-14-9-5-4-8-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238568 (CHEMBL4100744) Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50431275 (CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...) Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238568 (CHEMBL4100744) Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238566 (CHEMBL4075846) Show SMILES Cc1ccc(CNC(=O)n2cnc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-17-16(20)19-11-18-14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50431275 (CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...) Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	759	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238566 (CHEMBL4075846) Show SMILES Cc1ccc(CNC(=O)n2cnc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-17-16(20)19-11-18-14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	928	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238554 (CHEMBL4094489) Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	967	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238555 (CHEMBL4076865) Show SMILES O=C(NCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-11-17-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554356 (CHEMBL4758733) Show SMILES CN(C)c1ccc(Nc2nc(nc3CCC(N)Cc23)-c2ccncc2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human topoisomerase 2alpha using supercoiled pBR322 DNA as substrate incubated for 60 mins by ethidium bromide dye based ag...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00774 BindingDB Entry DOI: 10.7270/Q26H4N2X
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554356 (CHEMBL4758733) Show SMILES CN(C)c1ccc(Nc2nc(nc3CCC(N)Cc23)-c2ccncc2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild-type human topoisomerase 2alpha expressed in Saccharomyces cerevisiae using supercoiled pBR322 DNA as substrate measur...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00774 BindingDB Entry DOI: 10.7270/Q26H4N2X
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238554 (CHEMBL4094489) Show SMILES COc1nc2ccccc2n1C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C19H21N3O2/c1-24-19-21-16-12-5-6-13-17(16)22(19)18(23)20-14-8-7-11-15-9-3-2-4-10-15/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238555 (CHEMBL4076865) Show SMILES O=C(NCc1ccccc1)n1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O/c19-15(16-10-12-6-2-1-3-7-12)18-11-17-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measure...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50554356 (CHEMBL4758733) Show SMILES CN(C)c1ccc(Nc2nc(nc3CCC(N)Cc23)-c2ccncc2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human COX1				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00774 BindingDB Entry DOI: 10.7270/Q26H4N2X
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50246439 (CHEMBL4082686) Show SMILES Oc1c(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 Show InChI InChI=1S/C23H17N3O3S/c27-20(24-16-10-4-1-5-11-16)19-21(28)25(17-12-6-2-7-13-17)23(30)26(22(19)29)18-14-8-3-9-15-18/h1-15,28H,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha expressed in baculovirus-infected insect cells assessed as reduction in pBR322 supercoiled DNA relaxation af...				J Med Chem 61: 1375-1379 (2018) Article DOI: 10.1021/acs.jmedchem.7b01388 BindingDB Entry DOI: 10.7270/Q2B56N5T
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238560 (CHEMBL4081779) Show SMILES O=C(NCCCCc1ccccc1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H19N3O2/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-16-12-5-4-11-15(16)20-18(21)23/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,22)(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238564 (CHEMBL4075570) Show SMILES O=C(NCCCCc1ccccc1)Nc1nc2ccccc2o1 Show InChI InChI=1S/C18H19N3O2/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-18-20-15-11-4-5-12-16(15)23-18/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of 5-HT uptake in rat synaptosomal fraction				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238452 (CHEMBL4084302) Show SMILES CCCCCCNC(=O)Nc1nc2ccccc2o1 Show InChI InChI=1S/C14H19N3O2/c1-2-3-4-7-10-15-13(18)17-14-16-11-8-5-6-9-12(11)19-14/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238453 (CHEMBL4092056) Show SMILES CCCCCCNC(=O)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C14H20N4O/c1-2-3-4-7-10-15-14(19)18-13-16-11-8-5-6-9-12(11)17-13/h5-6,8-9H,2-4,7,10H2,1H3,(H3,15,16,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238450 (CHEMBL4086076) Show SMILES CCCCCCNC(=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C14H19N3OS/c1-2-3-4-7-10-15-13(18)17-14-16-11-8-5-6-9-12(11)19-14/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238451 (CHEMBL4103996) Show SMILES O=C(NCCCCc1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C18H19N3OS/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-18-20-15-11-4-5-12-16(15)23-18/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
Acid ceramidase (Homo sapiens (Human))	BDBM50238454 (CHEMBL4067955) Show SMILES O=C(NCCCCc1ccccc1)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H20N4O/c23-18(19-13-7-6-10-14-8-2-1-3-9-14)22-17-20-15-11-4-5-12-16(15)21-17/h1-5,8-9,11-12H,6-7,10,13H2,(H3,19,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...				J Med Chem 60: 5800-5815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00472 BindingDB Entry DOI: 10.7270/Q2SB481G
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50246436 (CHEMBL4090510) Show SMILES COc1cccc(NC(=O)c2c(O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2=O)c1 Show InChI InChI=1S/C24H19N3O4S/c1-31-19-14-8-9-16(15-19)25-21(28)20-22(29)26(17-10-4-2-5-11-17)24(32)27(23(20)30)18-12-6-3-7-13-18/h2-15,29H,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha expressed in baculovirus-infected insect cells assessed as reduction in pBR322 supercoiled DNA relaxation af...				J Med Chem 61: 1375-1379 (2018) Article DOI: 10.1021/acs.jmedchem.7b01388 BindingDB Entry DOI: 10.7270/Q2B56N5T
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50246438 (CHEMBL4098224) Show SMILES COc1cc(NC(=O)c2c(O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2=O)cc(OC)c1O Show InChI InChI=1S/C25H21N3O6S/c1-33-18-13-15(14-19(34-2)21(18)29)26-22(30)20-23(31)27(16-9-5-3-6-10-16)25(35)28(24(20)32)17-11-7-4-8-12-17/h3-14,29,31H,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha expressed in baculovirus-infected insect cells assessed as reduction in pBR322 supercoiled DNA relaxation af...				J Med Chem 61: 1375-1379 (2018) Article DOI: 10.1021/acs.jmedchem.7b01388 BindingDB Entry DOI: 10.7270/Q2B56N5T
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM241949 (US9428466, Merbarone) Show SMILES O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O Show InChI InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha expressed in baculovirus-infected insect cells assessed as reduction in pBR322 supercoiled DNA relaxation af...				J Med Chem 61: 1375-1379 (2018) Article DOI: 10.1021/acs.jmedchem.7b01388 BindingDB Entry DOI: 10.7270/Q2B56N5T
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha expressed in baculovirus-infected insect cells assessed as reduction in pBR322 supercoiled DNA relaxation af...				J Med Chem 61: 1375-1379 (2018) Article DOI: 10.1021/acs.jmedchem.7b01388 BindingDB Entry DOI: 10.7270/Q2B56N5T
					More data for this Ligand-Target Pair				3D Structure (crystal)

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