BDBM50094313 CHEMBL3590109

SMILES: C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1

InChI Key: InChIKey=CXAPCXVRRKIUMC-VWLOTQADSA-N

Data: 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 4 hits for monomerid = 50094313   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094313 (CHEMBL3590109) Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50094313 (CHEMBL3590109) Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094313 (CHEMBL3590109) Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094313 (CHEMBL3590109) Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1 Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair