BDBM50540861 EFT-226::EFT226::Eft226::ZOTATIFIN::Zotatifin

SMILES: COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N

InChI Key: InChIKey=QYCXWOACFWMQFO-WZWZCULESA-N

Data: 6 IC50  4 Kd

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 10 hits for monomerid = 50540861   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of human ERG by patch-clamp assay				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human HAP1 cells assessed as reduction in cell proliferation incubated for 72 hrs by CellTiter-Glo reagent based assay				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measurin...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	3.19E+3	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measurin...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measurin...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | EFT226 | Eft226 | ZOTATIFIN | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measurin...				J Med Chem 63: 5879-5955 (2020)
					More data for this Ligand-Target Pair