Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Eukaryotic initiation factor 4A-I' and Ligand = 'BDBM50196926'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.70	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) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	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) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	135	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) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	231	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) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	156	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) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					More data for this Ligand-Target Pair				3D Structure (crystal)