BDBM50511395 CHEMBL4473140

SMILES: Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

InChI Key: InChIKey=JNYMSOJGKCXZLV-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 = 50511395   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	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
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	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
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	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))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	528	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))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	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
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	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
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	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