BDBM50539950 CHEMBL4641263

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

InChI Key: InChIKey=ZHFCMGYNIOFGKJ-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 = 50539950   

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))	BDBM50539950 (CHEMBL4641263) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1 Show InChI InChI=1S/C22H21F3N6O4S/c1-30-16-7-5-4-6-14(16)20(32)31(12-22(23,24)25)17-11-26-21(28-19(17)30)27-15-9-8-13(10-18(15)35-2)29-36(3,33)34/h4-11,29H,12H2,1-3H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	80	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))	BDBM50539950 (CHEMBL4641263) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1 Show InChI InChI=1S/C22H21F3N6O4S/c1-30-16-7-5-4-6-14(16)20(32)31(12-22(23,24)25)17-11-26-21(28-19(17)30)27-15-9-8-13(10-18(15)35-2)29-36(3,33)34/h4-11,29H,12H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	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))	BDBM50539950 (CHEMBL4641263) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1 Show InChI InChI=1S/C22H21F3N6O4S/c1-30-16-7-5-4-6-14(16)20(32)31(12-22(23,24)25)17-11-26-21(28-19(17)30)27-15-9-8-13(10-18(15)35-2)29-36(3,33)34/h4-11,29H,12H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.89E+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