Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50010261   

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
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))	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))	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))	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