BDBM50465586 CHEMBL4294174::US10501466, Example B14

SMILES: COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1

InChI Key: InChIKey=HMOMQPHKMPWUKJ-OAQYLSRUSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50465586   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
WD repeat-containing protein 5 (WDR5) (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (WDR5) (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (WDR5) (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (WDR5) (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human WDR5 (22 to 334 residues) assessed as reduction in WRAD-mediated human MLL1 ( 3745 to 3969 residues) H3K4 methylation using human...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair