BDBM50318544 Ac-ARAEVHL-NH2::CHEMBL1086453

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(N)=O

InChI Key: InChIKey=CEMFFHOCMZLMEO-IBQXPFEUSA-N

Data: 1 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 2 hits for monomerid = 50318544   

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))	BDBM50318544 (Ac-ARAEVHL-NH2 | CHEMBL1086453) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(N)=O |r,wU:31.32,47.48,18.19,4.4,wD:22.28,36.44,8.15,(22.77,-9.08,;22.77,-10.61,;24.13,-11.4,;21.42,-11.4,;21.42,-12.92,;20.09,-13.71,;18.76,-12.93,;18.76,-11.41,;17.43,-13.7,;17.43,-15.26,;18.76,-16.02,;20.16,-15.43,;21.18,-16.58,;20.4,-17.91,;18.9,-17.55,;16.11,-12.91,;14.79,-13.71,;14.79,-15.28,;13.43,-12.93,;12.1,-13.69,;10.75,-12.94,;10.75,-11.42,;9.43,-13.71,;9.43,-15.28,;10.75,-16.04,;10.75,-17.6,;9.39,-18.35,;12.08,-18.36,;8.11,-12.91,;6.79,-13.71,;6.79,-15.28,;5.44,-12.93,;5.44,-11.4,;4.1,-13.69,;2.77,-12.92,;2.77,-11.4,;1.45,-13.69,;1.45,-15.25,;2.77,-16.01,;2.77,-17.58,;4.1,-18.35,;4.1,-19.89,;2.71,-20.64,;5.4,-20.61,;.14,-12.88,;-1.17,-13.69,;-1.17,-15.23,;-2.5,-12.92,;-2.5,-11.38,;-3.84,-13.69,;-5.17,-12.91,;-6.51,-13.68,;-5.17,-11.37,;13.43,-11.41,;14.79,-10.62,;12.11,-10.64,;22.77,-13.71,;24.1,-12.94,;22.77,-15.27,)| Show InChI InChI=1S/C36H61N13O10/c1-17(2)13-25(29(37)53)47-34(58)26(14-22-15-40-16-42-22)48-35(59)28(18(3)4)49-33(57)24(10-11-27(51)52)46-31(55)20(6)44-32(56)23(9-8-12-41-36(38)39)45-30(54)19(5)43-21(7)50/h15-20,23-26,28H,8-14H2,1-7H3,(H2,37,53)(H,40,42)(H,43,50)(H,44,56)(H,45,54)(H,46,55)(H,47,58)(H,48,59)(H,49,57)(H,51,52)(H4,38,39,41)/t19-,20-,23-,24-,25-,26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay				J Med Chem 53: 5179-85 (2010) Article DOI: 10.1021/jm100139b BindingDB Entry DOI: 10.7270/Q2086678
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (WDR5) (Homo sapiens (Human))	BDBM50318544 (Ac-ARAEVHL-NH2 | CHEMBL1086453) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(N)=O |r,wU:31.32,47.48,18.19,4.4,wD:22.28,36.44,8.15,(22.77,-9.08,;22.77,-10.61,;24.13,-11.4,;21.42,-11.4,;21.42,-12.92,;20.09,-13.71,;18.76,-12.93,;18.76,-11.41,;17.43,-13.7,;17.43,-15.26,;18.76,-16.02,;20.16,-15.43,;21.18,-16.58,;20.4,-17.91,;18.9,-17.55,;16.11,-12.91,;14.79,-13.71,;14.79,-15.28,;13.43,-12.93,;12.1,-13.69,;10.75,-12.94,;10.75,-11.42,;9.43,-13.71,;9.43,-15.28,;10.75,-16.04,;10.75,-17.6,;9.39,-18.35,;12.08,-18.36,;8.11,-12.91,;6.79,-13.71,;6.79,-15.28,;5.44,-12.93,;5.44,-11.4,;4.1,-13.69,;2.77,-12.92,;2.77,-11.4,;1.45,-13.69,;1.45,-15.25,;2.77,-16.01,;2.77,-17.58,;4.1,-18.35,;4.1,-19.89,;2.71,-20.64,;5.4,-20.61,;.14,-12.88,;-1.17,-13.69,;-1.17,-15.23,;-2.5,-12.92,;-2.5,-11.38,;-3.84,-13.69,;-5.17,-12.91,;-6.51,-13.68,;-5.17,-11.37,;13.43,-11.41,;14.79,-10.62,;12.11,-10.64,;22.77,-13.71,;24.1,-12.94,;22.77,-15.27,)| Show InChI InChI=1S/C36H61N13O10/c1-17(2)13-25(29(37)53)47-34(58)26(14-22-15-40-16-42-22)48-35(59)28(18(3)4)49-33(57)24(10-11-27(51)52)46-31(55)20(6)44-32(56)23(9-8-12-41-36(38)39)45-30(54)19(5)43-21(7)50/h15-20,23-26,28H,8-14H2,1-7H3,(H2,37,53)(H,40,42)(H,43,50)(H,44,56)(H,45,54)(H,46,55)(H,47,58)(H,48,59)(H,49,57)(H,51,52)(H4,38,39,41)/t19-,20-,23-,24-,25-,26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay				J Med Chem 53: 5179-85 (2010) Article DOI: 10.1021/jm100139b BindingDB Entry DOI: 10.7270/Q2086678
					More data for this Ligand-Target Pair