Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.5 BDBM50511378

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	360	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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.96E+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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	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 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair