BDBM50510284 CHEMBL4461333::US10711036, Compound 101

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF

InChI Key: InChIKey=PYBHTUWIUGYAGW-ZJOUEHCJSA-N

Data: 2 KI

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 = 50510284   

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))	BDBM50510284 (CHEMBL4461333 | US10711036, Compound 101) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020)
					More data for this Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human))	BDBM50510284 (CHEMBL4461333 | US10711036, Compound 101) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 29: 1336-1339 (2019) Article DOI: 10.1016/j.bmcl.2019.03.046
					More data for this Ligand-Target Pair