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BDBM50318545 Ac-ARAEVH-NH2::CHEMBL1086454

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

InChI Key: InChIKey=AFTMQAFHRKDEPI-CMQAMBHRSA-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 = 50318545   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318545
PNG
(Ac-ARAEVH-NH2 | CHEMBL1086454)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r,wU:16.16,32.32,3.3,wD:7.12,21.28,41.40,(13.83,-21.67,;12.48,-22.46,;11.15,-21.7,;12.48,-23.98,;11.14,-24.75,;9.8,-24,;9.8,-22.48,;8.48,-24.77,;8.48,-26.33,;9.8,-27.1,;9.8,-28.66,;8.45,-29.41,;11.12,-29.42,;7.16,-23.97,;5.84,-24.76,;5.84,-26.33,;4.48,-23.98,;4.48,-22.45,;3.15,-24.75,;1.82,-23.98,;1.82,-22.45,;.5,-24.74,;.5,-26.3,;1.82,-27.07,;1.82,-28.64,;3.17,-29.37,;3.17,-30.91,;1.8,-31.65,;4.49,-31.62,;-.81,-23.94,;-2.13,-24.74,;-2.13,-26.28,;-3.46,-23.97,;-3.46,-22.43,;-4.8,-24.74,;-6.13,-23.96,;-7.46,-24.73,;-6.13,-22.42,;13.83,-24.76,;13.83,-26.33,;15.15,-23.97,;16.48,-24.75,;16.48,-26.32,;17.81,-27.08,;19.21,-26.49,;20.23,-27.64,;19.45,-28.97,;17.95,-28.61,;17.81,-23.99,;19.16,-24.78,;17.81,-22.46,)|
Show InChI InChI=1S/C30H50N12O9/c1-14(2)23(29(51)41-21(24(31)46)11-18-12-34-13-36-18)42-28(50)20(8-9-22(44)45)40-26(48)16(4)38-27(49)19(7-6-10-35-30(32)33)39-25(47)15(3)37-17(5)43/h12-16,19-21,23H,6-11H2,1-5H3,(H2,31,46)(H,34,36)(H,37,43)(H,38,49)(H,39,47)(H,40,48)(H,41,51)(H,42,50)(H,44,45)(H4,32,33,35)/t15-,16-,19-,20-,21-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
90n/an/an/an/an/an/an/an/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))
BDBM50318545
PNG
(Ac-ARAEVH-NH2 | CHEMBL1086454)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r,wU:16.16,32.32,3.3,wD:7.12,21.28,41.40,(13.83,-21.67,;12.48,-22.46,;11.15,-21.7,;12.48,-23.98,;11.14,-24.75,;9.8,-24,;9.8,-22.48,;8.48,-24.77,;8.48,-26.33,;9.8,-27.1,;9.8,-28.66,;8.45,-29.41,;11.12,-29.42,;7.16,-23.97,;5.84,-24.76,;5.84,-26.33,;4.48,-23.98,;4.48,-22.45,;3.15,-24.75,;1.82,-23.98,;1.82,-22.45,;.5,-24.74,;.5,-26.3,;1.82,-27.07,;1.82,-28.64,;3.17,-29.37,;3.17,-30.91,;1.8,-31.65,;4.49,-31.62,;-.81,-23.94,;-2.13,-24.74,;-2.13,-26.28,;-3.46,-23.97,;-3.46,-22.43,;-4.8,-24.74,;-6.13,-23.96,;-7.46,-24.73,;-6.13,-22.42,;13.83,-24.76,;13.83,-26.33,;15.15,-23.97,;16.48,-24.75,;16.48,-26.32,;17.81,-27.08,;19.21,-26.49,;20.23,-27.64,;19.45,-28.97,;17.95,-28.61,;17.81,-23.99,;19.16,-24.78,;17.81,-22.46,)|
Show InChI InChI=1S/C30H50N12O9/c1-14(2)23(29(51)41-21(24(31)46)11-18-12-34-13-36-18)42-28(50)20(8-9-22(44)45)40-26(48)16(4)38-27(49)19(7-6-10-35-30(32)33)39-25(47)15(3)37-17(5)43/h12-16,19-21,23H,6-11H2,1-5H3,(H2,31,46)(H,34,36)(H,37,43)(H,38,49)(H,39,47)(H,40,48)(H,41,51)(H,42,50)(H,44,45)(H4,32,33,35)/t15-,16-,19-,20-,21-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/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