BDBM50030879 CHEMBL3356126

SMILES: CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1

InChI Key: InChIKey=MBCGDEROXRLCKP-GOSISDBHSA-N

Data: 3 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 3 hits for monomerid = 50030879   

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))	BDBM50030879 (CHEMBL3356126) Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H28Cl2N4O4/c1-16(32)17-2-4-20(5-3-17)30-8-10-31(11-9-30)23(33)15-29-7-6-18(14-29)25(35)28-19-12-21(26)24(34)22(27)13-19/h2-5,12-13,18,34H,6-11,14-15H2,1H3,(H,28,35)/t18-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50030879 (CHEMBL3356126) Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H28Cl2N4O4/c1-16(32)17-2-4-20(5-3-17)30-8-10-31(11-9-30)23(33)15-29-7-6-18(14-29)25(35)28-19-12-21(26)24(34)22(27)13-19/h2-5,12-13,18,34H,6-11,14-15H2,1H3,(H,28,35)/t18-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50030879 (CHEMBL3356126) Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C25H28Cl2N4O4/c1-16(32)17-2-4-20(5-3-17)30-8-10-31(11-9-30)23(33)15-29-7-6-18(14-29)25(35)28-19-12-21(26)24(34)22(27)13-19/h2-5,12-13,18,34H,6-11,14-15H2,1H3,(H,28,35)/t18-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay				J Med Chem 57: 8817-26 (2014) Article DOI: 10.1021/jm500847m BindingDB Entry DOI: 10.7270/Q2Q52R6D
					More data for this Ligand-Target Pair