BDBM50403055 CHEMBL2216826

SMILES: CCNc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CC[C@H](C)[C@H](C)OC2=O)c1

InChI Key: InChIKey=CVMRXEUTOZUOID-STQMWFEESA-N

Data: 2 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 2 hits for monomerid = 50403055   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50403055 (CHEMBL2216826) Show SMILES CCNc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CC[C@H](C)[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h10-13,22,25H,4-9H2,1-3H3/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of MEK1				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50403055 (CHEMBL2216826) Show SMILES CCNc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CC[C@H](C)[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h10-13,22,25H,4-9H2,1-3H3/t12-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of MEKK1				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair