BDBM50492380 CHEMBL2402001

SMILES: Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1

InChI Key: InChIKey=ILNRGJOBWHKROC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50492380   

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
p38 MAP kinase alpha/beta (Homo sapiens (Human))	BDBM50492380 (CHEMBL2402001) Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	409	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50492380 (CHEMBL2402001) Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492380 (CHEMBL2402001) Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50492380 (CHEMBL2402001) Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human PBMC preincubated for 5 mins prior to LPS-treatment measured after 6 hrs by ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair