Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'vohra' and Initial = 'yu'   

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
E-selectin (Homo sapiens (Human))	BDBM528667 (US11197877, Compound 43) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCOCCOCCNC(=O)[C@@H](OS(=O)(=O)O[Na])[C@@H](COS(=O)(=O)O[Na])[Na]OS(O)(=O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528668 (US11197877, Compound 44) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCOCCOCCNC(=O)[C@@H](OS(=O)(=O)O[Na])[C@H](COS(=O)(=O)O[Na])[Na]OS(O)(=O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528653 (US11197877, Compound 17) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CC(CC[Na])(COS(=O)(=O)O[Na])COS(=O)(=O)O[Na])nn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528655 (US11197877, Compound 18) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CC(CO[Na])(COS(=O)(=O)O[Na])COS(=O)(=O)O[Na])nn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528656 (US11197877, Compound 24) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)[C@@H](OS(=O)(=O)O[Na])[C@@H](COS(=O)(=O)O[Na])OS(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528669 (US11197877, Compound 46) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCOCCOCCNC(=O)c1cn(nn1)C(COS(=O)(=O)O[Na])(COS(=O)(=O)O[Na])COS(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528659 (US11197877, Compound 20) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CC(CO)(CO)CO)nn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528664 (US11197877, Compound 34) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCCCS(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528665 (US11197877, Compound 36) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCCC(O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528660 (US11197877, Compound 21) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CCCO)nn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528658 (US11197877, Compound 19) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)c1cn(CCCOS(=O)(=O)O[Na])nn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528657 (US11197877, Compound 25) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)[C@@H](OS(=O)(=O)O[Na])[C@H](COS(=O)(=O)O[Na])OS(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528666 (US11197877, Compound 35) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCC(O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528663 (US11197877, Compound 33) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CCCS(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528662 (US11197877, Compound 31) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CC(CS(=O)(=O)O[Na])S(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM528661 (US11197877, Compound 30) Show SMILES CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)CC(C)S(=O)(=O)O[Na] |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determina...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2DT8
					More data for this Ligand-Target Pair