Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'vaynberg' and Initial = 'j'   

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
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582536 (US11524945, Compound 8 (Csbl-2)) Show SMILES CCOCCOc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(c1)C#C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.84E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582528 (US11524945, Compound Gefitinib) Show SMILES COc1cc2ncnc(NC3=CC(Cl)C(F)C=C3)c2cc1OCCCN1CCOCC1 |c:16,t:10| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582528 (US11524945, Compound Gefitinib) Show SMILES COc1cc2ncnc(NC3=CC(Cl)C(F)C=C3)c2cc1OCCCN1CCOCC1 |c:16,t:10| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582529 (US11524945, Compound Erlotinib-4-methylphenyl anal...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)C#C)c2cc1OCCOC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582529 (US11524945, Compound Erlotinib-4-methylphenyl anal...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)C#C)c2cc1OCCOC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	745	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582530 (US11524945, Compound 1 (Csbl-1)) Show SMILES CCOCCOc1cc(Nc2ncnc3cc(OCCOC)ccc23)cc(c1)C#C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582530 (US11524945, Compound 1 (Csbl-1)) Show SMILES CCOCCOc1cc(Nc2ncnc3cc(OCCOC)ccc23)cc(c1)C#C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582531 (US11524945, Compound 3 (cmpd#3)) Show SMILES COCCOc1ccc2c(Nc3cc(OCCN4CCOCC4)cc(c3)C#C)ncnc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582532 (US11524945, Compound 4 (cmpd#4)) Show SMILES COc1cc2ncnc(Nc3cc(cc(c3)C#C)C#C)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582532 (US11524945, Compound 4 (cmpd#4)) Show SMILES COc1cc2ncnc(Nc3cc(cc(c3)C#C)C#C)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582533 (US11524945, Compound 1 New (cmpd#1new)) Show SMILES COCCOc1ccc2c(Nc3cc(OCCOC)cc(c3)C#C)ncnc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.85E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582533 (US11524945, Compound 1 New (cmpd#1new)) Show SMILES COCCOc1ccc2c(Nc3cc(OCCOC)cc(c3)C#C)ncnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582534 (US11524945, Compound 2 New (cmpd#2new)) Show SMILES COCCOc1ccc2c(Nc3cc(OCCOCCO)cc(c3)C#C)ncnc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582535 (US11524945, Compound 7 (cmpd-#7)) Show SMILES COCCOc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(c1)C#C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM582535 (US11524945, Compound 7 (cmpd-#7)) Show SMILES COCCOc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(c1)C#C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.59E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM582536 (US11524945, Compound 8 (Csbl-2)) Show SMILES CCOCCOc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(c1)C#C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	922	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB US Patent	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...				Citation and Details BindingDB Entry DOI: 10.7270/Q2542SFN
					More data for this Ligand-Target Pair				3D Structure (crystal)