BDBM50539556 CHEMBL4640695

SMILES: CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(F)cccc1F

InChI Key: InChIKey=INBSRKBKSGIXCC-NRFANRHFSA-N

Data: 1 Kd  1 EC50

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 = 50539556   

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
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50539556 (CHEMBL4640695) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(F)cccc1F |r| Show InChI InChI=1S/C28H26F2N4O3/c1-3-34-24-10-9-20(16(2)27(24)31-32-34)21(14-25(35)36)18-8-7-17-11-12-33(15-19(17)13-18)28(37)26-22(29)5-4-6-23(26)30/h4-10,13,21H,3,11-12,14-15H2,1-2H3,(H,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Induction of Nrf2 nuclear translocation in human U2OS cells				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50539556 (CHEMBL4640695) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(F)cccc1F |r| Show InChI InChI=1S/C28H26F2N4O3/c1-3-34-24-10-9-20(16(2)27(24)31-32-34)21(14-25(35)36)18-8-7-17-11-12-33(15-19(17)13-18)28(37)26-22(29)5-4-6-23(26)30/h4-10,13,21H,3,11-12,14-15H2,1-2H3,(H,35,36)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to Keap1 (unknown origin) by SPR assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair