BDBM281107 US10022354, Example 47

SMILES: Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C1CC1)-c1cnn(C)c1

InChI Key: InChIKey=WCOMCPYVSHGEPF-UHFFFAOYSA-N

Data: 2 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 = 281107   

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
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281107 (US10022354, Example 47) Show SMILES Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C1CC1)-c1cnn(C)c1 Show InChI InChI=1S/C21H24N6O/c1-13-7-16(17-10-22-26(2)11-17)8-18(23-13)15-5-6-27(12-15)21(28)20-9-19(24-25-20)14-3-4-14/h7-11,14-15H,3-6,12H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281107 (US10022354, Example 47) Show SMILES Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C1CC1)-c1cnn(C)c1 Show InChI InChI=1S/C21H24N6O/c1-13-7-16(17-10-22-26(2)11-17)8-18(23-13)15-5-6-27(12-15)21(28)20-9-19(24-25-20)14-3-4-14/h7-11,14-15H,3-6,12H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	25
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