BDBM50063574 CHEMBL3398597

SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnco3)C2)cc1Cl

InChI Key: InChIKey=HMDUWHWFAVYNPC-LJQANCHMSA-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 = 50063574   

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))	BDBM50063574 (CHEMBL3398597) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnco3)C2)cc1Cl |r| Show InChI InChI=1S/C26H28ClN5O4/c27-22-13-20(3-6-23(22)33)29-26(35)19-7-8-30(15-19)16-25(34)32-11-9-31(10-12-32)21-4-1-18(2-5-21)24-14-28-17-36-24/h1-6,13-14,17,19,33H,7-12,15-16H2,(H,29,35)/t19-/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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay				Bioorg Med Chem Lett 25: 1627-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50063574 (CHEMBL3398597) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnco3)C2)cc1Cl |r| Show InChI InChI=1S/C26H28ClN5O4/c27-22-13-20(3-6-23(22)33)29-26(35)19-7-8-30(15-19)16-25(34)32-11-9-31(10-12-32)21-4-1-18(2-5-21)24-14-28-17-36-24/h1-6,13-14,17,19,33H,7-12,15-16H2,(H,29,35)/t19-/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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of activated Erk2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 25: 1627-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S
					More data for this Ligand-Target Pair