Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'manerba' 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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114409 (CHEMBL3609809) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as disappearance of NADH fluorescence				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114409 (CHEMBL3609809) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using NADH as substrate assessed as disappearance of NADH fluorescence				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114404 (CHEMBL3608325) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cc(co1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-9-15(10-19(29-2)20(18)30-3)21(25)24-23-11-17-8-16(12-31-17)13-5-4-6-14(7-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114408 (CHEMBL3609810) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CC#N)o1 Show InChI InChI=1S/C15H11N3O4/c16-8-7-14(19)18-17-9-12-5-6-13(22-12)10-1-3-11(4-2-10)15(20)21/h1-6,9H,7H2,(H,18,19)(H,20,21)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114409 (CHEMBL3609809) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114400 (CHEMBL3608329) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ccc3c2)o1 Show InChI InChI=1S/C21H15N3O4/c25-20(15-4-6-18-13(10-15)8-9-22-18)24-23-12-17-5-7-19(28-17)14-2-1-3-16(11-14)21(26)27/h1-12,22H,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114403 (CHEMBL3608326) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(s1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O6S/c1-28-17-10-15(11-18(29-2)20(17)30-3)21(25)24-23-12-16-7-8-19(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114401 (CHEMBL3608328) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ncc3c2)o1 Show InChI InChI=1S/C20H14N4O4/c25-19(13-4-6-17-15(9-13)10-21-23-17)24-22-11-16-5-7-18(28-16)12-2-1-3-14(8-12)20(26)27/h1-11H,(H,21,23)(H,24,25)(H,26,27)/b22-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114409 (CHEMBL3609809) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114407 (CHEMBL3197264) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1 Show InChI InChI=1S/C18H13N3O4/c22-17(14-5-2-8-19-10-14)21-20-11-15-6-7-16(25-15)12-3-1-4-13(9-12)18(23)24/h1-11H,(H,21,22)(H,23,24)/b20-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114402 (CHEMBL3608327) Show SMILES OCc1cccc(c1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H16N2O5/c23-12-13-3-1-5-15(9-13)19(24)22-21-11-17-7-8-18(27-17)14-4-2-6-16(10-14)20(25)26/h1-11,23H,12H2,(H,22,24)(H,25,26)/b21-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114399 (CHEMBL3608330) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1 Show InChI InChI=1S/C15H11N3O4/c16-7-6-14(19)18-17-9-12-4-5-13(22-12)10-2-1-3-11(8-10)15(20)21/h1-5,8-9H,6H2,(H,18,19)(H,20,21)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114404 (CHEMBL3608325) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cc(co1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-9-15(10-19(29-2)20(18)30-3)21(25)24-23-11-17-8-16(12-31-17)13-5-4-6-14(7-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114400 (CHEMBL3608329) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ccc3c2)o1 Show InChI InChI=1S/C21H15N3O4/c25-20(15-4-6-18-13(10-15)8-9-22-18)24-23-12-17-5-7-19(28-17)14-2-1-3-16(11-14)21(26)27/h1-12,22H,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114403 (CHEMBL3608326) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(s1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O6S/c1-28-17-10-15(11-18(29-2)20(17)30-3)21(25)24-23-12-16-7-8-19(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114399 (CHEMBL3608330) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1 Show InChI InChI=1S/C15H11N3O4/c16-7-6-14(19)18-17-9-12-4-5-13(22-12)10-2-1-3-11(8-10)15(20)21/h1-5,8-9H,6H2,(H,18,19)(H,20,21)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114405 (CHEMBL3609813) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-8-9-17(31-16)13-4-6-14(7-5-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114405 (CHEMBL3609813) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-8-9-17(31-16)13-4-6-14(7-5-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114411 (CHEMBL3608331) Show SMILES OC(=O)c1ccc(cc1)-c1cccc(\C=N\NC(=O)CC#N)n1 Show InChI InChI=1S/C16H12N4O3/c17-9-8-15(21)20-18-10-13-2-1-3-14(19-13)11-4-6-12(7-5-11)16(22)23/h1-7,10H,8H2,(H,20,21)(H,22,23)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114412 (CHEMBL3609812) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cccc(n1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C23H21N3O6/c1-30-19-11-16(12-20(31-2)21(19)32-3)22(27)26-24-13-17-8-5-9-18(25-17)14-6-4-7-15(10-14)23(28)29/h4-13H,1-3H3,(H,26,27)(H,28,29)/b24-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114407 (CHEMBL3197264) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1 Show InChI InChI=1S/C18H13N3O4/c22-17(14-5-2-8-19-10-14)21-20-11-15-6-7-16(25-15)12-3-1-4-13(9-12)18(23)24/h1-11H,(H,21,22)(H,23,24)/b20-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114402 (CHEMBL3608327) Show SMILES OCc1cccc(c1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H16N2O5/c23-12-13-3-1-5-15(9-13)19(24)22-21-11-17-7-8-18(27-17)14-4-2-6-16(10-14)20(25)26/h1-11,23H,12H2,(H,22,24)(H,25,26)/b21-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114401 (CHEMBL3608328) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ncc3c2)o1 Show InChI InChI=1S/C20H14N4O4/c25-19(13-4-6-17-15(9-13)10-21-23-17)24-22-11-16-5-7-18(28-16)12-2-1-3-14(8-12)20(26)27/h1-11H,(H,21,23)(H,24,25)(H,26,27)/b22-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114410 (CHEMBL3608332) Show SMILES COC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1 Show InChI InChI=1S/C19H15N3O4/c1-25-19(24)14-5-2-4-13(10-14)17-8-7-16(26-17)12-21-22-18(23)15-6-3-9-20-11-15/h2-12H,1H3,(H,22,23)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114406 (CHEMBL3609811) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1c[nH]c(c1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H21N3O6/c1-29-18-9-16(10-19(30-2)20(18)31-3)21(26)25-24-12-13-7-17(23-11-13)14-5-4-6-15(8-14)22(27)28/h4-12,23H,1-3H3,(H,25,26)(H,27,28)/b24-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114408 (CHEMBL3609810) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CC#N)o1 Show InChI InChI=1S/C15H11N3O4/c16-8-7-14(19)18-17-9-12-5-6-13(22-12)10-1-3-11(4-2-10)15(20)21/h1-6,9H,7H2,(H,18,19)(H,20,21)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
Breast cancer type 2 susceptibility protein/DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM65519 (F0665-0303 | N-cyclopentyl-2-((5-((2-oxobenzo[d]th...) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-10-4-5-11-19)17-33-24-28-27-22(29(24)15-14-18-8-2-1-3-9-18)16-30-20-12-6-7-13-21(20)34-25(30)32/h1-3,6-9,12-13,19H,4-5,10-11,14-17H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia					Assay Description This assay is an efficient tool for directly measuring inhibition of the BRC4−Rad51 interaction, at a molecular level, which is described by Ra...				ACS Chem Biol 12: 2491-2497 (2017) Article DOI: 10.1021/acschembio.7b00707 BindingDB Entry DOI: 10.7270/Q2WS8RD4
					More data for this Ligand-Target Pair
Breast cancer type 2 susceptibility protein/DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM65520 (N-cyclopentyl-2-((5-((2-oxobenzo[d]thiazol-3(2H)-y...) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C26H29N5O2S2/c32-24(27-20-12-4-5-13-20)18-34-25-29-28-23(30(25)16-8-11-19-9-2-1-3-10-19)17-31-21-14-6-7-15-22(21)35-26(31)33/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia					Assay Description This assay is an efficient tool for directly measuring inhibition of the BRC4−Rad51 interaction, at a molecular level, which is described by Ra...				ACS Chem Biol 12: 2491-2497 (2017) Article DOI: 10.1021/acschembio.7b00707 BindingDB Entry DOI: 10.7270/Q2WS8RD4
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536924 (CHEMBL4538360) Show SMILES CC1NC(Oc2nnc(SCC(=O)NC3CCCC3)n2CCCc2ccccc2)=C(C=C1)C#N |c:31,33| Show InChI InChI=1S/C25H30N6O2S/c1-18-13-14-20(16-26)23(27-18)33-24-29-30-25(34-17-22(32)28-21-11-5-6-12-21)31(24)15-7-10-19-8-3-2-4-9-19/h2-4,8-9,13-14,18,21,27H,5-7,10-12,15,17H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536925 (CHEMBL4552593) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3oc2=O)n1CCCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C26H29N5O3S/c32-24(27-20-12-4-5-13-20)18-35-25-29-28-23(30(25)16-8-11-19-9-2-1-3-10-19)17-31-21-14-6-7-15-22(21)34-26(31)33/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536926 (CHEMBL4559055) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CC1 Show InChI InChI=1S/C24H25N5O2S2/c30-22(25-18-12-13-18)16-32-23-27-26-21(28(23)14-6-9-17-7-2-1-3-8-17)15-29-19-10-4-5-11-20(19)33-24(29)31/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536927 (CHEMBL4530772) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C27H31N5O2S2/c33-25(28-21-13-5-2-6-14-21)19-35-26-30-29-24(31(26)17-9-12-20-10-3-1-4-11-20)18-32-22-15-7-8-16-23(22)36-27(32)34/h1,3-4,7-8,10-11,15-16,21H,2,5-6,9,12-14,17-19H2,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM65520 (N-cyclopentyl-2-((5-((2-oxobenzo[d]thiazol-3(2H)-y...) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C26H29N5O2S2/c32-24(27-20-12-4-5-13-20)18-34-25-29-28-23(30(25)16-8-11-19-9-2-1-3-10-19)17-31-21-14-6-7-15-22(21)35-26(31)33/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM65519 (F0665-0303 | N-cyclopentyl-2-((5-((2-oxobenzo[d]th...) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-10-4-5-11-19)17-33-24-28-27-22(29(24)15-14-18-8-2-1-3-9-18)16-30-20-12-6-7-13-21(20)34-25(30)32/h1-3,6-9,12-13,19H,4-5,10-11,14-17H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536928 (CHEMBL4553930) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C26H23N5O2S2/c32-24(27-20-11-5-2-6-12-20)18-34-25-29-28-23(30(25)16-15-19-9-3-1-4-10-19)17-31-21-13-7-8-14-22(21)35-26(31)33/h1-14H,15-18H2,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536929 (CHEMBL4551898) Show SMILES Cc1ccccc1CCn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NC1CCCC1 Show InChI InChI=1S/C26H29N5O2S2/c1-18-8-2-3-9-19(18)14-15-30-23(16-31-21-12-6-7-13-22(21)35-26(31)33)28-29-25(30)34-17-24(32)27-20-10-4-5-11-20/h2-3,6-9,12-13,20H,4-5,10-11,14-17H2,1H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50536930 (CHEMBL4540385) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCC1 Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-11-6-12-19)17-33-24-28-27-22(29(24)15-7-10-18-8-2-1-3-9-18)16-30-20-13-4-5-14-21(20)34-25(30)32/h1-5,8-9,13-14,19H,6-7,10-12,15-17H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008 BindingDB Entry DOI: 10.7270/Q26H4MZ5
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527105 (CHEMBL4574296) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C26H19Cl2N3O2/c1-15(32)31-23(16-7-9-18(27)10-8-16)14-22(30-31)25-24(17-5-3-2-4-6-17)20-13-19(28)11-12-21(20)29-26(25)33/h2-13,23H,14H2,1H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527106 (CHEMBL4559865) Show SMILES CCn1ccc2cc(ccc12)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:15| Show InChI InChI=1S/C30H25ClN4O2/c1-3-34-14-13-21-15-20(9-12-26(21)34)27-17-25(33-35(27)18(2)36)29-28(19-7-5-4-6-8-19)23-16-22(31)10-11-24(23)32-30(29)37/h4-16,27H,3,17H2,1-2H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527107 (CHEMBL4450955) Show SMILES CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C28H24ClN3O3/c1-3-25(33)32-24(17-9-12-20(35-2)13-10-17)16-23(31-32)27-26(18-7-5-4-6-8-18)21-15-19(29)11-14-22(21)30-28(27)34/h4-15,24H,3,16H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells by microscale thermophoresis analysis				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527108 (CHEMBL4470365) Show SMILES CCn1ccc2cc(ccc12)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:15| Show InChI InChI=1S/C32H27ClN4O4/c1-2-36-15-14-21-16-20(8-11-26(21)36)27-18-25(35-37(27)28(38)12-13-29(39)40)31-30(19-6-4-3-5-7-19)23-17-22(33)9-10-24(23)34-32(31)41/h3-11,14-17,27H,2,12-13,18H2,1H3,(H,34,41)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527109 (CHEMBL4461983) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:18| Show InChI InChI=1S/C35H28ClN3O5/c1-44-26-14-11-22(12-15-26)21-7-9-23(10-8-21)30-20-29(38-39(30)31(40)17-18-32(41)42)34-33(24-5-3-2-4-6-24)27-19-25(36)13-16-28(27)37-35(34)43/h2-16,19,30H,17-18,20H2,1H3,(H,37,43)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527110 (CHEMBL4549187) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)-c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C34H25BrClN3O4/c35-24-12-10-21(11-13-24)20-6-8-22(9-7-20)29-19-28(38-39(29)30(40)16-17-31(41)42)33-32(23-4-2-1-3-5-23)26-18-25(36)14-15-27(26)37-34(33)43/h1-15,18,29H,16-17,19H2,(H,37,43)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50440089 (CHEMBL2426089) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C29H21ClF3N3O4/c30-19-10-11-21-20(14-19)26(17-4-2-1-3-5-17)27(28(40)34-21)22-15-23(36(35-22)24(37)12-13-25(38)39)16-6-8-18(9-7-16)29(31,32)33/h1-11,14,23H,12-13,15H2,(H,34,40)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50440092 (CHEMBL2426085) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C28H21BrClN3O4/c29-18-8-6-16(7-9-18)23-15-22(32-33(23)24(34)12-13-25(35)36)27-26(17-4-2-1-3-5-17)20-14-19(30)10-11-21(20)31-28(27)37/h1-11,14,23H,12-13,15H2,(H,31,37)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527111 (CHEMBL4555660) Show SMILES CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C27H21ClFN3O2/c1-2-24(33)32-23(16-8-11-19(29)12-9-16)15-22(31-32)26-25(17-6-4-3-5-7-17)20-14-18(28)10-13-21(20)30-27(26)34/h3-14,23H,2,15H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527112 (CHEMBL4589515) Show SMILES CCn1cc2cc(ccc2n1)-c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:22| Show InChI InChI=1S/C37H30ClN5O4/c1-2-42-21-26-18-25(12-14-29(26)40-42)22-8-10-23(11-9-22)32-20-31(41-43(32)33(44)16-17-34(45)46)36-35(24-6-4-3-5-7-24)28-19-27(38)13-15-30(28)39-37(36)47/h3-15,18-19,21,32H,2,16-17,20H2,1H3,(H,39,47)(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527113 (CHEMBL4593903) Show SMILES CCCn1cc(cn1)-c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:18| Show InChI InChI=1S/C34H30ClN5O4/c1-2-16-39-20-24(19-36-39)21-8-10-22(11-9-21)29-18-28(38-40(29)30(41)14-15-31(42)43)33-32(23-6-4-3-5-7-23)26-17-25(35)12-13-27(26)37-34(33)44/h3-13,17,19-20,29H,2,14-16,18H2,1H3,(H,37,44)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527107 (CHEMBL4450955) Show SMILES CCC(=O)N1N=C(CC1c1ccc(OC)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C28H24ClN3O3/c1-3-25(33)32-24(17-9-12-20(35-2)13-10-17)16-23(31-32)27-26(18-7-5-4-6-8-18)21-15-19(29)11-14-22(21)30-28(27)34/h4-15,24H,3,16H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527114 (CHEMBL4572566) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(C)(C)C)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C30H28ClN3O2/c1-18(35)34-26(19-10-12-21(13-11-19)30(2,3)4)17-25(33-34)28-27(20-8-6-5-7-9-20)23-16-22(31)14-15-24(23)32-29(28)36/h5-16,26H,17H2,1-4H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...				J Med Chem 63: 2588-2619 (2020) Article DOI: 10.1021/acs.jmedchem.9b01526 BindingDB Entry DOI: 10.7270/Q2SF30MF
					More data for this Ligand-Target Pair

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