Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'RecQ-like DNA helicase BLM' and Ligand = 'BDBM50505091'   

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
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of His-tagged BLM (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in BLM helicase unwinding activity using...				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...				J Med Chem 63: 9752-9772 (2020) Article DOI: 10.1021/acs.jmedchem.0c00917 BindingDB Entry DOI: 10.7270/Q2CN77GD
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of 5'-biotin labeled duplex forked-DNA binding to BLM (unknown origin) assessed as increase in unbound DNA levels after 1 hr by ELISA				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM I1168A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM M1111A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM Y995A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair
RecQ-like DNA helicase BLM (Homo sapiens (Human))	BDBM50505091 (CHEMBL4075790) Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM E1143A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay				J Med Chem 62: 3147-3162 (2019) Article DOI: 10.1021/acs.jmedchem.9b00083 BindingDB Entry DOI: 10.7270/Q22F7RQW
					More data for this Ligand-Target Pair