BDBM50473625 CHEMBL69319

SMILES: CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1

InChI Key: InChIKey=GYCYTYZLLQPEBT-RZFKFIIISA-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 = 50473625   

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 13 (Mus musculus)	BDBM50473625 (CHEMBL69319) Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)| Show InChI InChI=1S/C25H29FN6O3/c1-25(23(33)32(2)3)13-34-22(35-14-25)21-30-19(16-6-8-17(26)9-7-16)20(31-21)18-10-11-27-24(29-18)28-12-15-4-5-15/h6-11,15,22H,4-5,12-14H2,1-3H3,(H,30,31)(H,27,28,29)/t22-,25-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma S.A. Curated by ChEMBL					Assay Description Inhibition of murine Mitogen-activated protein kinase p38				J Med Chem 45: 2173-84 (2002) Article DOI: 10.1021/jm011132l BindingDB Entry DOI: 10.7270/Q2WW7MFK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50473625 (CHEMBL69319) Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)| Show InChI InChI=1S/C25H29FN6O3/c1-25(23(33)32(2)3)13-34-22(35-14-25)21-30-19(16-6-8-17(26)9-7-16)20(31-21)18-10-11-27-24(29-18)28-12-15-4-5-15/h6-11,15,22H,4-5,12-14H2,1-3H3,(H,30,31)(H,27,28,29)/t22-,25-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma S.A. Curated by ChEMBL					Assay Description Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1)				J Med Chem 45: 2173-84 (2002) Article DOI: 10.1021/jm011132l BindingDB Entry DOI: 10.7270/Q2WW7MFK
					More data for this Ligand-Target Pair