BDBM50115405 CHEMBL3608459

SMILES: OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)C(F)(F)C2)n1)c1cccc(Cl)c1

InChI Key: InChIKey=YLQJWFUKPPUOHJ-QIJUGHKUSA-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 = 50115405   

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))	BDBM50115405 (CHEMBL3608459) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)C(F)(F)C2)n1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClF2N5O3/c26-17-4-1-3-15(9-17)21(14-34)33-8-2-7-32-13-16(10-20(32)23(33)36)19-5-6-29-24(31-19)30-18-11-22(35)25(27,28)12-18/h1,3-6,9-10,13,18,21-22,34-35H,2,7-8,11-12,14H2,(H,29,30,31)/t18-,21-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 25: 3788-92 (2015) BindingDB Entry DOI: 10.7270/Q2G44S3Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50115405 (CHEMBL3608459) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)C(F)(F)C2)n1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClF2N5O3/c26-17-4-1-3-15(9-17)21(14-34)33-8-2-7-32-13-16(10-20(32)23(33)36)19-5-6-29-24(31-19)30-18-11-22(35)25(27,28)12-18/h1,3-6,9-10,13,18,21-22,34-35H,2,7-8,11-12,14H2,(H,29,30,31)/t18-,21-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2 in human A375 cells assessed as phosphorylated FRA level				Bioorg Med Chem Lett 25: 3788-92 (2015) BindingDB Entry DOI: 10.7270/Q2G44S3Q
					More data for this Ligand-Target Pair