Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'WD repeat-containing protein 5' and Ligand = 'BDBM50164794'   

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
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164794 (CHEMBL3798846 | US11174250, Example Table4.1.1 | U...) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resona...				J Med Chem 59: 2478-96 (2016) Article DOI: 10.1021/acs.jmedchem.5b01630 BindingDB Entry DOI: 10.7270/Q2VT1V0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164794 (CHEMBL3798846 | US11174250, Example Table4.1.1 | U...) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to His-tagged human WDR5 expressed in Escherichia coli BL21 by isothermal titration calorimetry				Eur J Med Chem 118: 1-8 (2016) Article DOI: 10.1016/j.ejmech.2016.04.032 BindingDB Entry DOI: 10.7270/Q26H4KBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164794 (CHEMBL3798846 | US11174250, Example Table4.1.1 | U...) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00195 BindingDB Entry DOI: 10.7270/Q2JQ153M
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164794 (CHEMBL3798846 | US11174250, Example Table4.1.1 | U...) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...				Citation and Details BindingDB Entry DOI: 10.7270/Q27W6GD6
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164794 (CHEMBL3798846 | US11174250, Example Table4.1.1 | U...) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...				Citation and Details BindingDB Entry DOI: 10.7270/Q27W6GD6
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164794 (CHEMBL3798846 | US11174250, Example Table4.1.1 | U...) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q0K
					More data for this Ligand-Target Pair				3D Structure (crystal)