Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.2 BDBM351650

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

Found 3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM351650 (N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)...) Show SMILES Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc12 Show InChI InChI=1S/C17H11BrFN5OS/c18-11-7-26-17(14(11)16-21-8-22-24-16)23-13(25)6-9-3-4-12(19)15-10(9)2-1-5-20-15/h1-5,7-8H,6H2,(H,23,25)(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
IMAGO PHARMACEUTICALS, INC. US Patent					Assay Description (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...				US Patent US9796706 (2017) BindingDB Entry DOI: 10.7270/Q24T6MHK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM351650 (N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)...) Show SMILES Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc12 Show InChI InChI=1S/C17H11BrFN5OS/c18-11-7-26-17(14(11)16-21-8-22-24-16)23-13(25)6-9-3-4-12(19)15-10(9)2-1-5-20-15/h1-5,7-8H,6H2,(H,23,25)(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
IMAGO PHARMACEUTICALS, INC. US Patent					Assay Description (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...				US Patent US9796706 (2017) BindingDB Entry DOI: 10.7270/Q24T6MHK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM351650 (N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)...) Show SMILES Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc12 Show InChI InChI=1S/C17H11BrFN5OS/c18-11-7-26-17(14(11)16-21-8-22-24-16)23-13(25)6-9-3-4-12(19)15-10(9)2-1-5-20-15/h1-5,7-8H,6H2,(H,23,25)(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
IMAGO PHARMACEUTICALS, INC. US Patent					Assay Description (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...				US Patent US9796706 (2017) BindingDB Entry DOI: 10.7270/Q24T6MHK
					More data for this Ligand-Target Pair