BDBM177218 US9120749, 584::US9120749, 585

SMILES: Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1

InChI Key: InChIKey=OFTNLVBTNHHAJV-LBZQVFOQSA-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 = 177218   

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
Maternal embryonic leucine zipper kinase (MELK) (Homo sapiens (Human))	BDBM177218 (US9120749, 584 | US9120749, 585) Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,-.41,;-6.1,-1.18,;-6.1,-2.72,;-7.44,-3.49,;-4.77,-3.49,;-3.44,-2.72,;-3.44,-1.18,;-4.77,-.41,;-4.77,1.13,;-2.1,-3.49,;-2.1,-5.03,;-.77,-5.8,;.56,-5.03,;1.9,-5.8,;3.23,-5.03,;3.23,-3.49,;4.56,-2.72,;4.56,-1.18,;5.9,-3.49,;6.67,-4.83,;7.44,-3.49,;1.9,-2.72,;1.9,-1.18,;.56,-.41,;-.77,-1.18,;-2.1,-.41,;-2.1,1.13,;-3.44,1.9,;-3.44,3.44,;-2.19,4.34,;-2.67,5.8,;-4.21,5.8,;-4.68,4.34,;-.77,1.9,;.56,1.13,;.56,-3.49,;-.77,-2.72,)| Show InChI InChI=1S/C30H33Cl2N3O2/c31-25-14-21(15-26(32)30(25)37)20-7-10-27-23(13-20)28(24(16-33-27)29(36)19-5-6-19)34-22-8-3-18(4-9-22)17-35-11-1-2-12-35/h7,10,13-16,18-19,22,37H,1-6,8-9,11-12,17H2,(H,33,34)/t18-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK) (Homo sapiens (Human))	BDBM177218 (US9120749, 584 | US9120749, 585) Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,-.41,;-6.1,-1.18,;-6.1,-2.72,;-7.44,-3.49,;-4.77,-3.49,;-3.44,-2.72,;-3.44,-1.18,;-4.77,-.41,;-4.77,1.13,;-2.1,-3.49,;-2.1,-5.03,;-.77,-5.8,;.56,-5.03,;1.9,-5.8,;3.23,-5.03,;3.23,-3.49,;4.56,-2.72,;4.56,-1.18,;5.9,-3.49,;6.67,-4.83,;7.44,-3.49,;1.9,-2.72,;1.9,-1.18,;.56,-.41,;-.77,-1.18,;-2.1,-.41,;-2.1,1.13,;-3.44,1.9,;-3.44,3.44,;-2.19,4.34,;-2.67,5.8,;-4.21,5.8,;-4.68,4.34,;-.77,1.9,;.56,1.13,;.56,-3.49,;-.77,-2.72,)| Show InChI InChI=1S/C30H33Cl2N3O2/c31-25-14-21(15-26(32)30(25)37)20-7-10-27-23(13-20)28(24(16-33-27)29(36)19-5-6-19)34-22-8-3-18(4-9-22)17-35-11-1-2-12-35/h7,10,13-16,18-19,22,37H,1-6,8-9,11-12,17H2,(H,33,34)/t18-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair