BDBM50063570 CHEMBL3398601

SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cncnc3)C2)cc1Cl

InChI Key: InChIKey=XKSDYUASFCBQLI-HXUWFJFHSA-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 = 50063570   

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))	BDBM50063570 (CHEMBL3398601) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cncnc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN6O3/c28-24-13-22(3-6-25(24)35)31-27(37)20-7-8-32(16-20)17-26(36)34-11-9-33(10-12-34)23-4-1-19(2-5-23)21-14-29-18-30-15-21/h1-6,13-15,18,20,35H,7-12,16-17H2,(H,31,37)/t20-/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	73	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))	BDBM50063570 (CHEMBL3398601) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cncnc3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN6O3/c28-24-13-22(3-6-25(24)35)31-27(37)20-7-8-32(16-20)17-26(36)34-11-9-33(10-12-34)23-4-1-19(2-5-23)21-14-29-18-30-15-21/h1-6,13-15,18,20,35H,7-12,16-17H2,(H,31,37)/t20-/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	1.80E+3	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