BDBM50177227 CHEMBL3814547

SMILES: COCCOc1nc(-c2cccc(c2)C(F)(F)F)n(n1)-c1ccc(NC(=O)CCl)cc1

InChI Key: InChIKey=YNPCFQRRZGAJJP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50177227   

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))	BDBM50177227 (CHEMBL3814547) Show SMILES COCCOc1nc(-c2cccc(c2)C(F)(F)F)n(n1)-c1ccc(NC(=O)CCl)cc1 Show InChI InChI=1S/C20H18ClF3N4O3/c1-30-9-10-31-19-26-18(13-3-2-4-14(11-13)20(22,23)24)28(27-19)16-7-5-15(6-8-16)25-17(29)12-21/h2-8,11H,9-10,12H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of recombinant Malt1 (unknown origin) at 10 to 1000 uM preincubated for 1 hr followed by (S)-1-((6-(4-(4-(5,5-Difluoro-3,7-bis(4-methoxyph...				Bioorg Med Chem 24: 3312-29 (2016) BindingDB Entry DOI: 10.7270/Q21G0P58
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50177227 (CHEMBL3814547) Show SMILES COCCOc1nc(-c2cccc(c2)C(F)(F)F)n(n1)-c1ccc(NC(=O)CCl)cc1 Show InChI InChI=1S/C20H18ClF3N4O3/c1-30-9-10-31-19-26-18(13-3-2-4-14(11-13)20(22,23)24)28(27-19)16-7-5-15(6-8-16)25-17(29)12-21/h2-8,11H,9-10,12H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of recombinant Malt1 (unknown origin) at 10 to 1000 uM preincubated for 1 hr followed by (S)-1-((6-(4-(4-(5,5-Difluoro-3,7-bis(4-methoxyph...				Bioorg Med Chem 24: 3312-29 (2016) BindingDB Entry DOI: 10.7270/Q21G0P58
					More data for this Ligand-Target Pair