Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50009320   

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))	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))	BDBM50527130 (CHEMBL4523053) Show SMILES CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C26H19BrClN3O2/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	3.80E+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
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527115 (CHEMBL4588316) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccc(Cl)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C32H23Cl2N3O2/c1-19(38)37-29(22-9-7-20(8-10-22)21-11-13-24(33)14-12-21)18-28(36-37)31-30(23-5-3-2-4-6-23)26-17-25(34)15-16-27(26)35-32(31)39/h2-17,29H,18H2,1H3,(H,35,39)	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	4.50E+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))	BDBM50527116 (CHEMBL4535304) Show SMILES CC(=O)N1N=C(CC1c1ccc2n(C)ccc2c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C29H23ClN4O2/c1-17(35)34-26(19-8-11-25-20(14-19)12-13-33(25)2)16-24(32-34)28-27(18-6-4-3-5-7-18)22-15-21(30)9-10-23(22)31-29(28)36/h3-15,26H,16H2,1-2H3,(H,31,36)	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	1.80E+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))	BDBM50527117 (CHEMBL4435090) Show SMILES CCn1ncc2cc(ccc12)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:15| Show InChI InChI=1S/C29H24ClN5O2/c1-3-34-25-12-9-19(13-20(25)16-31-34)26-15-24(33-35(26)17(2)36)28-27(18-7-5-4-6-8-18)22-14-21(30)10-11-23(22)32-29(28)37/h4-14,16,26H,3,15H2,1-2H3,(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	4.00E+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))	BDBM50527118 (CHEMBL4445494) Show SMILES CCn1cc2cc(ccc2n1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:15| Show InChI InChI=1S/C31H26ClN5O4/c1-2-36-17-20-14-19(8-10-23(20)34-36)26-16-25(35-37(26)27(38)12-13-28(39)40)30-29(18-6-4-3-5-7-18)22-15-21(32)9-11-24(22)33-31(30)41/h3-11,14-15,17,26H,2,12-13,16H2,1H3,(H,33,41)(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	2.80E+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))	BDBM50440093 (CHEMBL2426084) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C28H21Cl2N3O4/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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.90E+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))	BDBM50527119 (CHEMBL4579300) Show SMILES CCn1ncc2cc(ccc12)-c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:22| Show InChI InChI=1S/C37H30ClN5O4/c1-2-42-31-15-12-25(18-26(31)21-39-42)22-8-10-23(11-9-22)32-20-30(41-43(32)33(44)16-17-34(45)46)36-35(24-6-4-3-5-7-24)28-19-27(38)13-14-29(28)40-37(36)47/h3-15,18-19,21,32H,2,16-17,20H2,1H3,(H,40,47)(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	1.50E+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))	BDBM50527120 (CHEMBL4533313) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:18| Show InChI InChI=1S/C33H26ClN3O3/c1-20(38)37-30(23-10-8-21(9-11-23)22-12-15-26(40-2)16-13-22)19-29(36-37)32-31(24-6-4-3-5-7-24)27-18-25(34)14-17-28(27)35-33(32)39/h3-18,30H,19H2,1-2H3,(H,35,39)	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	7.00E+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))	BDBM50527121 (CHEMBL4580835) Show SMILES CCCn1cc(cn1)-c1ccc(cc1)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:18| Show InChI InChI=1S/C32H28ClN5O2/c1-3-15-37-19-24(18-34-37)21-9-11-22(12-10-21)29-17-28(36-38(29)20(2)39)31-30(23-7-5-4-6-8-23)26-16-25(33)13-14-27(26)35-32(31)40/h4-14,16,18-19,29H,3,15,17H2,1-2H3,(H,35,40)	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	4.60E+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))	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	1.84E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of RAD51 in human BxPC3 cells assessed as reduction in homologous recombination incubated for 5 hrs by RT-PCR 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))	BDBM50527122 (CHEMBL4574565) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)-c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C34H25ClFN3O4/c35-24-12-15-27-26(18-24)32(23-4-2-1-3-5-23)33(34(43)37-27)28-19-29(39(38-28)30(40)16-17-31(41)42)22-8-6-20(7-9-22)21-10-13-25(36)14-11-21/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	1.30E+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))	BDBM50440094 (CHEMBL2426083) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C28H21ClFN3O4/c29-18-8-11-21-20(14-18)26(17-4-2-1-3-5-17)27(28(37)31-21)22-15-23(16-6-9-19(30)10-7-16)33(32-22)24(34)12-13-25(35)36/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))	BDBM50527123 (CHEMBL4437075) Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)-c1ccc(Cl)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8| Show InChI InChI=1S/C34H25Cl2N3O4/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	2.50E+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))	BDBM50527124 (CHEMBL4436545) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C26H19ClFN3O2/c1-15(32)31-23(16-7-10-19(28)11-8-16)14-22(30-31)25-24(17-5-3-2-4-6-17)20-13-18(27)9-12-21(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	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))	BDBM50527125 (CHEMBL4444995) Show SMILES CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C27H21BrClN3O2/c1-2-24(33)32-23(16-8-10-18(28)11-9-16)15-22(31-32)26-25(17-6-4-3-5-7-17)20-14-19(29)12-13-21(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	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))	BDBM50527126 (CHEMBL4463701) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4| Show InChI InChI=1S/C32H23BrClN3O2/c1-19(38)37-29(22-9-7-20(8-10-22)21-11-13-24(33)14-12-21)18-28(36-37)31-30(23-5-3-2-4-6-23)26-17-25(34)15-16-27(26)35-32(31)39/h2-17,29H,18H2,1H3,(H,35,39)	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	7.00E+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))	BDBM50527127 (CHEMBL4516566) Show SMILES CCCn1ncc2cc(ccc12)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:16| Show InChI InChI=1S/C30H26ClN5O2/c1-3-13-35-26-12-9-20(14-21(26)17-32-35)27-16-25(34-36(27)18(2)37)29-28(19-7-5-4-6-8-19)23-15-22(31)10-11-24(23)33-30(29)38/h4-12,14-15,17,27H,3,13,16H2,1-2H3,(H,33,38)	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	950	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))	BDBM50527128 (CHEMBL4468829) Show SMILES Cn1ccc2cc(ccc12)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:14| Show InChI InChI=1S/C31H25ClN4O4/c1-35-14-13-20-15-19(7-10-25(20)35)26-17-24(34-36(26)27(37)11-12-28(38)39)30-29(18-5-3-2-4-6-18)22-16-21(32)8-9-23(22)33-31(30)40/h2-10,13-16,26H,11-12,17H2,1H3,(H,33,40)(H,38,39)	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+3	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))	BDBM50527129 (CHEMBL4575879) Show SMILES CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C27H21Cl2N3O2/c1-2-24(33)32-23(16-8-10-18(28)11-9-16)15-22(31-32)26-25(17-6-4-3-5-7-17)20-14-19(29)12-13-21(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	8.00E+3	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