BDBM50539947 CHEMBL4640016

SMILES: COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1

InChI Key: InChIKey=WVDQWAPBMCRMGM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50539947   

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
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539947 (CHEMBL4640016) Show SMILES COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H30F3N7O3/c1-36-12-10-18(11-13-36)33-25(39)17-8-9-20(23(14-17)41-3)34-27-32-15-22-24(35-27)37(2)21-7-5-4-6-19(21)26(40)38(22)16-28(29,30)31/h4-9,14-15,18H,10-13,16H2,1-3H3,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539947 (CHEMBL4640016) Show SMILES COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H30F3N7O3/c1-36-12-10-18(11-13-36)33-25(39)17-8-9-20(23(14-17)41-3)34-27-32-15-22-24(35-27)37(2)21-7-5-4-6-19(21)26(40)38(22)16-28(29,30)31/h4-9,14-15,18H,10-13,16H2,1-3H3,(H,33,39)(H,32,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) by AlphaScreen displacement assay				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539947 (CHEMBL4640016) Show SMILES COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H30F3N7O3/c1-36-12-10-18(11-13-36)33-25(39)17-8-9-20(23(14-17)41-3)34-27-32-15-22-24(35-27)37(2)21-7-5-4-6-19(21)26(40)38(22)16-28(29,30)31/h4-9,14-15,18H,10-13,16H2,1-3H3,(H,33,39)(H,32,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair