BDBM50516103 CHEMBL4551225

SMILES: COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl

InChI Key: InChIKey=OFDMCTREFVQJJO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50516103   

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
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50516103 (CHEMBL4551225) Show SMILES COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl Show InChI InChI=1S/C20H24ClN3O2/c1-13-5-4-9-22-19(13)24-10-8-15(11-14(24)2)20(25)23-16-6-7-18(26-3)17(21)12-16/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of strep-tagged and His-tagged full length MALT1 protease (1 to 824 residues) (unknown origin) expressed in baculovirus infected insect ce...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126743
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50516103 (CHEMBL4551225) Show SMILES COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl Show InChI InChI=1S/C20H24ClN3O2/c1-13-5-4-9-22-19(13)24-10-8-15(11-14(24)2)20(25)23-16-6-7-18(26-3)17(21)12-16/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of MALT1 protease in human TMD8 cells assessed as reduction in IL6 level incubated for 24 hrs by mesoscale assay kit method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126743
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50516103 (CHEMBL4551225) Show SMILES COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl Show InChI InChI=1S/C20H24ClN3O2/c1-13-5-4-9-22-19(13)24-10-8-15(11-14(24)2)20(25)23-16-6-7-18(26-3)17(21)12-16/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of MALT1 in human OCI-LY3 cells assessed as reduction in Rel-b cleavage				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126743
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50516103 (CHEMBL4551225) Show SMILES COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl Show InChI InChI=1S/C20H24ClN3O2/c1-13-5-4-9-22-19(13)24-10-8-15(11-14(24)2)20(25)23-16-6-7-18(26-3)17(21)12-16/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of MALT1-mediated T cell activation in human Jurkat cells assessed in decrease in PMA/ionomycin-induced IL2 production				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126743
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50516103 (CHEMBL4551225) Show SMILES COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl Show InChI InChI=1S/C20H24ClN3O2/c1-13-5-4-9-22-19(13)24-10-8-15(11-14(24)2)20(25)23-16-6-7-18(26-3)17(21)12-16/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of strep-tagged and His-tagged full length MALT1 protease E397A mutant (1 to 824 residues) (unknown origin) expressed in baculovirus infec...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126743
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50516103 (CHEMBL4551225) Show SMILES COc1ccc(NC(=O)C2CCN(C(C)C2)c2ncccc2C)cc1Cl Show InChI InChI=1S/C20H24ClN3O2/c1-13-5-4-9-22-19(13)24-10-8-15(11-14(24)2)20(25)23-16-6-7-18(26-3)17(21)12-16/h4-7,9,12,14-15H,8,10-11H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of MALT1 protease in human TMD8 cells assessed as reduction in IL10 level incubated for 24 hrs by mesoscale assay kit method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126743
					More data for this Ligand-Target Pair