BDBM50063575 CHEMBL3398596

SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cccs3)C2)cc1Cl

InChI Key: InChIKey=IUPWVMNTUIGAKG-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 = 50063575   

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))	BDBM50063575 (CHEMBL3398596) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cccs3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O3S/c28-23-16-21(5-8-24(23)33)29-27(35)20-9-10-30(17-20)18-26(34)32-13-11-31(12-14-32)22-6-3-19(4-7-22)25-2-1-15-36-25/h1-8,15-16,20,33H,9-14,17-18H2,(H,29,35)/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	2.50E+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))	BDBM50063575 (CHEMBL3398596) Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cccs3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN4O3S/c28-23-16-21(5-8-24(23)33)29-27(35)20-9-10-30(17-20)18-26(34)32-13-11-31(12-14-32)22-6-3-19(4-7-22)25-2-1-15-36-25/h1-8,15-16,20,33H,9-14,17-18H2,(H,29,35)/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	2.00E+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