BDBM50539945 CHEMBL4649318

SMILES: COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1

InChI Key: InChIKey=CYUJWTUNNJDJKV-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 = 50539945   

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))	BDBM50539945 (CHEMBL4649318) Show SMILES COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H33N7O2/c1-18(2)34-23-17-28-27(30-25(23)32(4)22-9-7-6-8-20(22)26(34)35)29-21-11-10-19(16-24(21)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	411	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))	BDBM50539945 (CHEMBL4649318) Show SMILES COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H33N7O2/c1-18(2)34-23-17-28-27(30-25(23)32(4)22-9-7-6-8-20(22)26(34)35)29-21-11-10-19(16-24(21)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+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))	BDBM50539945 (CHEMBL4649318) Show SMILES COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H33N7O2/c1-18(2)34-23-17-28-27(30-25(23)32(4)22-9-7-6-8-20(22)26(34)35)29-21-11-10-19(16-24(21)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.90E+3	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