BDBM50318541 Ac-ARAEVHLRKS-NH2::CHEMBL1086450

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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=JDETYDIWHLTWSR-BJMIAJMISA-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 = 50318541   

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))	BDBM50318541 (Ac-ARAEVHLRKS-NH2 | CHEMBL1086450) 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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O |r,wU:31.32,47.48,4.4,70.70,18.19,wD:22.28,59.59,36.44,79.79,8.15,(21.79,-25.89,;21.79,-27.41,;23.15,-28.2,;20.43,-28.2,;20.43,-29.72,;19.13,-30.55,;17.79,-29.79,;17.79,-28.26,;16.47,-30.55,;16.47,-32.11,;17.79,-32.87,;19.19,-32.28,;20.22,-33.43,;19.44,-34.76,;17.94,-34.41,;15.13,-29.78,;13.8,-30.55,;13.8,-32.12,;12.45,-29.77,;11.12,-30.56,;9.78,-29.81,;9.78,-28.28,;8.46,-30.57,;8.46,-32.14,;9.78,-32.91,;9.78,-34.47,;8.43,-35.21,;11.1,-35.23,;7.14,-29.77,;5.82,-30.56,;5.82,-32.13,;4.47,-29.78,;4.47,-28.26,;3.12,-30.53,;1.77,-29.8,;1.77,-28.27,;.45,-30.56,;.45,-32.12,;1.77,-32.89,;1.77,-34.46,;3.12,-35.19,;3.1,-36.73,;1.73,-37.45,;4.43,-37.46,;-.87,-29.77,;-2.2,-30.53,;-2.2,-32.1,;-3.55,-29.75,;-3.55,-28.23,;-4.88,-30.52,;-6.21,-29.75,;-7.54,-30.52,;-6.21,-28.21,;12.45,-28.25,;13.8,-27.46,;11.12,-27.48,;21.79,-30.51,;21.79,-32.07,;23.13,-29.75,;24.46,-30.52,;24.46,-32.09,;25.78,-32.86,;25.78,-34.42,;27.12,-35.18,;27.06,-36.72,;25.73,-37.52,;28.41,-37.5,;25.78,-29.76,;25.78,-28.24,;27.12,-30.53,;28.43,-29.72,;28.43,-28.19,;29.78,-27.41,;29.78,-25.88,;31.14,-25.1,;31.19,-23.59,;29.78,-30.5,;29.78,-32.06,;31.13,-29.75,;32.46,-30.52,;32.46,-32.08,;33.78,-32.85,;33.78,-29.76,;35.14,-30.53,;33.78,-28.23,)| Show InChI InChI=1S/C51H90N20O14/c1-25(2)20-35(47(83)67-33(14-11-19-60-51(56)57)44(80)66-31(12-8-9-17-52)45(81)70-37(23-72)40(53)76)68-48(84)36(21-30-22-58-24-61-30)69-49(85)39(26(3)4)71-46(82)34(15-16-38(74)75)65-42(78)28(6)63-43(79)32(13-10-18-59-50(54)55)64-41(77)27(5)62-29(7)73/h22,24-28,31-37,39,72H,8-21,23,52H2,1-7H3,(H2,53,76)(H,58,61)(H,62,73)(H,63,79)(H,64,77)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,74,75)(H4,54,55,59)(H4,56,57,60)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3	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))	BDBM50318541 (Ac-ARAEVHLRKS-NH2 | CHEMBL1086450) 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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O |r,wU:31.32,47.48,4.4,70.70,18.19,wD:22.28,59.59,36.44,79.79,8.15,(21.79,-25.89,;21.79,-27.41,;23.15,-28.2,;20.43,-28.2,;20.43,-29.72,;19.13,-30.55,;17.79,-29.79,;17.79,-28.26,;16.47,-30.55,;16.47,-32.11,;17.79,-32.87,;19.19,-32.28,;20.22,-33.43,;19.44,-34.76,;17.94,-34.41,;15.13,-29.78,;13.8,-30.55,;13.8,-32.12,;12.45,-29.77,;11.12,-30.56,;9.78,-29.81,;9.78,-28.28,;8.46,-30.57,;8.46,-32.14,;9.78,-32.91,;9.78,-34.47,;8.43,-35.21,;11.1,-35.23,;7.14,-29.77,;5.82,-30.56,;5.82,-32.13,;4.47,-29.78,;4.47,-28.26,;3.12,-30.53,;1.77,-29.8,;1.77,-28.27,;.45,-30.56,;.45,-32.12,;1.77,-32.89,;1.77,-34.46,;3.12,-35.19,;3.1,-36.73,;1.73,-37.45,;4.43,-37.46,;-.87,-29.77,;-2.2,-30.53,;-2.2,-32.1,;-3.55,-29.75,;-3.55,-28.23,;-4.88,-30.52,;-6.21,-29.75,;-7.54,-30.52,;-6.21,-28.21,;12.45,-28.25,;13.8,-27.46,;11.12,-27.48,;21.79,-30.51,;21.79,-32.07,;23.13,-29.75,;24.46,-30.52,;24.46,-32.09,;25.78,-32.86,;25.78,-34.42,;27.12,-35.18,;27.06,-36.72,;25.73,-37.52,;28.41,-37.5,;25.78,-29.76,;25.78,-28.24,;27.12,-30.53,;28.43,-29.72,;28.43,-28.19,;29.78,-27.41,;29.78,-25.88,;31.14,-25.1,;31.19,-23.59,;29.78,-30.5,;29.78,-32.06,;31.13,-29.75,;32.46,-30.52,;32.46,-32.08,;33.78,-32.85,;33.78,-29.76,;35.14,-30.53,;33.78,-28.23,)| Show InChI InChI=1S/C51H90N20O14/c1-25(2)20-35(47(83)67-33(14-11-19-60-51(56)57)44(80)66-31(12-8-9-17-52)45(81)70-37(23-72)40(53)76)68-48(84)36(21-30-22-58-24-61-30)69-49(85)39(26(3)4)71-46(82)34(15-16-38(74)75)65-42(78)28(6)63-43(79)32(13-10-18-59-50(54)55)64-41(77)27(5)62-29(7)73/h22,24-28,31-37,39,72H,8-21,23,52H2,1-7H3,(H2,53,76)(H,58,61)(H,62,73)(H,63,79)(H,64,77)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,74,75)(H4,54,55,59)(H4,56,57,60)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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