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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 7' and Ligand = 'BDBM50282170'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50282170
PNG
(CHEMBL4169589)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(O)=O |r,c:22,24,27|
Show InChI InChI=1S/C86H130N22O25S/c1-41(2)35-60(102-77(124)59(29-30-65(88)114)104-86(134)98-49-23-26-52(55(36-49)84(131)132)67-53-27-24-50(112)37-63(53)133-64-38-51(113)25-28-54(64)67)78(125)95-44(5)72(119)106-69(48(9)111)82(129)101-56(19-13-15-31-87)74(121)94-42(3)70(117)93-43(4)71(118)99-58(21-17-32-91-85(89)90)75(122)100-57(20-14-16-34-108(10,11)12)76(123)103-61(40-109)79(126)97-46(7)83(130)107-33-18-22-62(107)80(127)96-45(6)73(120)105-68(47(8)110)81(128)92-39-66(115)116/h23-28,36-38,41-48,56-63,68-69,109-111H,13-22,29-35,39-40,87H2,1-12H3,(H24-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,131,132,134)/p+1/t42-,43-,44-,45-,46-,47+,48+,56-,57-,58-,59-,60-,61-,62-,63?,68-,69-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10E+5n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to Cbx7 (unknown origin) by ITC method

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair