BDBM50156165 CHEMBL3781982

SMILES: COCC(=O)Nc1cc(ccn1)C(C)Oc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12

InChI Key: InChIKey=IZVDYFCDVQANSW-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 = 50156165   

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 12 (Homo sapiens (Human))	BDBM50156165 (CHEMBL3781982) Show SMILES COCC(=O)Nc1cc(ccn1)C(C)Oc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C35H38N6O4/c1-22-11-13-25(14-12-22)41-32(20-30(40-41)35(3,4)5)39-34(43)37-28-15-16-29(27-10-8-7-9-26(27)28)45-23(2)24-17-18-36-31(19-24)38-33(42)21-44-6/h7-20,23H,21H2,1-6H3,(H,36,38,42)(H2,37,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	902	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibitory concentration required for in vitro binding affinity to cholinergic central Nicotinic acetylcholine receptor on rat brain cortex by using ...				J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156165 (CHEMBL3781982) Show SMILES COCC(=O)Nc1cc(ccn1)C(C)Oc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C35H38N6O4/c1-22-11-13-25(14-12-22)41-32(20-30(40-41)35(3,4)5)39-34(43)37-28-15-16-29(27-10-8-7-9-26(27)28)45-23(2)24-17-18-36-31(19-24)38-33(42)21-44-6/h7-20,23H,21H2,1-6H3,(H,36,38,42)(H2,37,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...				J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50156165 (CHEMBL3781982) Show SMILES COCC(=O)Nc1cc(ccn1)C(C)Oc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C35H38N6O4/c1-22-11-13-25(14-12-22)41-32(20-30(40-41)35(3,4)5)39-34(43)37-28-15-16-29(27-10-8-7-9-26(27)28)45-23(2)24-17-18-36-31(19-24)38-33(42)21-44-6/h7-20,23H,21H2,1-6H3,(H,36,38,42)(H2,37,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	807	n/a	n/a	n/a	n/a	n/a	n/a
Sygnature Discovery Limited Curated by ChEMBL					Assay Description Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay				J Med Chem 59: 1727-46 (2016) BindingDB Entry DOI: 10.7270/Q2319XRB
					More data for this Ligand-Target Pair