BDBM50511398 CHEMBL4582326

SMILES: FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

InChI Key: InChIKey=CJIAUJUVHMAHQC-UHFFFAOYSA-N

Data: 4 KI  4 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 8 hits for monomerid = 50511398   

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
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged STK16 kinase domain (13 to 305 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged GAK kinase domain (12 to 347 residues) (unknown origin) ...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused STK16 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by ...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused GAK (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by Na...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused AAK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by N...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Inhibition of tracer K5 binding to N-terminal nano luciferase-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by ...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399
					More data for this Ligand-Target Pair