BDBM50222084 CHEMBL327632

SMILES: Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1

InChI Key: InChIKey=BVWOUNUDMYJKNG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50222084   

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)	BDBM50222084 (CHEMBL327632) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C27H23Cl2F2N5OS/c28-18-2-1-3-19(29)25(18)36-22-10-23(35-13-16-9-17(35)12-34(16)15-5-6-15)26(33-21(22)11-32-27(36)37)38-24-7-4-14(30)8-20(24)31/h1-4,7-8,10,15-17H,5-6,9,11-13H2,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against mouse Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 13: 273-6 (2003) BindingDB Entry DOI: 10.7270/Q2BZ688J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50222084 (CHEMBL327632) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C27H23Cl2F2N5OS/c28-18-2-1-3-19(29)25(18)36-22-10-23(35-13-16-9-17(35)12-34(16)15-5-6-15)26(33-21(22)11-32-27(36)37)38-24-7-4-14(30)8-20(24)31/h1-4,7-8,10,15-17H,5-6,9,11-13H2,(H,32,37)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of LPS-induced release of TNF-alpha from human whole blood				Bioorg Med Chem Lett 13: 273-6 (2003) BindingDB Entry DOI: 10.7270/Q2BZ688J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50222084 (CHEMBL327632) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2N2CC3CC2CN3C2CC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C27H23Cl2F2N5OS/c28-18-2-1-3-19(29)25(18)36-22-10-23(35-13-16-9-17(35)12-34(16)15-5-6-15)26(33-21(22)11-32-27(36)37)38-24-7-4-14(30)8-20(24)31/h1-4,7-8,10,15-17H,5-6,9,11-13H2,(H,32,37)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA				Bioorg Med Chem Lett 13: 273-6 (2003) BindingDB Entry DOI: 10.7270/Q2BZ688J
					More data for this Ligand-Target Pair