Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.8 BDBM351728

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))	BDBM351728 (N-(4-chloro-3-(1H-1,2,4-triazol-3-yl)thiophen-2-yl...) Show SMILES Clc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nc[nH]n1 Show InChI InChI=1S/C18H11ClN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(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))	BDBM351728 (N-(4-chloro-3-(1H-1,2,4-triazol-3-yl)thiophen-2-yl...) Show SMILES Clc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nc[nH]n1 Show InChI InChI=1S/C18H11ClN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(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))	BDBM351728 (N-(4-chloro-3-(1H-1,2,4-triazol-3-yl)thiophen-2-yl...) Show SMILES Clc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nc[nH]n1 Show InChI InChI=1S/C18H11ClN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(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