BindingDB logo
myBDB logout

null

SMILES: CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1ccc(Cl)cc1

InChI Key: InChIKey=PSJNUJQXRJBICQ-UHFFFAOYSA-N

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 1 hit for monomerid = 281142   
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
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM281142
PNG
(US10022354, Example 82)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O/c1-14(2)20-12-22(27-26-20)23(29)28-9-8-17(13-28)21-11-18(10-15(3)25-21)16-4-6-19(24)7-5-16/h4-7,10-12,14,17H,8-9,13H2,1-3H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.160n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS INC.

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...

US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair