BDBM50222103 CHEMBL329792

SMILES: Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1

InChI Key: InChIKey=XPWLTGRNORHARK-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 = 50222103   

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)	BDBM50222103 (CHEMBL329792) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C24H20Cl2F2N4O2S/c25-15-2-1-3-16(26)22(15)32-19-11-20(34-14-6-8-29-9-7-14)23(31-18(19)12-30-24(32)33)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29H,6-9,12H2,(H,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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
MAP kinase p38 (Homo sapiens (Human))	BDBM50222103 (CHEMBL329792) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C24H20Cl2F2N4O2S/c25-15-2-1-3-16(26)22(15)32-19-11-20(34-14-6-8-29-9-7-14)23(31-18(19)12-30-24(32)33)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29H,6-9,12H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	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
MAP kinase p38 (Homo sapiens (Human))	BDBM50222103 (CHEMBL329792) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2OC2CCNCC2)c2c(Cl)cccc2Cl)c(F)c1 Show InChI InChI=1S/C24H20Cl2F2N4O2S/c25-15-2-1-3-16(26)22(15)32-19-11-20(34-14-6-8-29-9-7-14)23(31-18(19)12-30-24(32)33)35-21-5-4-13(27)10-17(21)28/h1-5,10-11,14,29H,6-9,12H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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