Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'soltane' and Initial = 'r'   

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
Spike glycoprotein (2019-nCoV)	BDBM540829 ((3-(4-chlorophenyl) isoxazol-5-yl) methyl-(2alpha,...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCc1cc(no1)-c1ccc(Cl)cc1 |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540813 (Propargyl- (3beta)-3- hydroxyolean- 12-en-28-oate ...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540821 ((1-(3- methylphenyl)-1H- 1,2,3-triazol- 4-yl)methy...) Show SMILES Cc1cccc(c1)-n1cc(COC(=O)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)nn1 |r,t:24| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540815 (Propargyl-(2alpha)-2- (propargyloxy)- (3beta)-3-hy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](OCC#C)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540812 (Maslinic acid | US11266632, Compound 2) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540818 (Propargyl- (2alpha,3beta)-2,3- bis(propargyloxy)- ...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](OCC#C)[C@H](OCC#C)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540823 ((1-(4- Chlorophenyl)-1H- 1,2,3-triazol- 4-yl)methy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](OCc6cn(nn6)-c6ccc(Cl)cc6)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCc1cn(nn1)-c1ccc(Cl)cc1 |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540820 ((1-(3- methylphenyl)-1H- 1,2,3-triazol- 5-yl)methy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCc1cnnn1-c1ccccc1 |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540822 ((1-Phenyl-1H- 1,2,3-triazol-4- yl)methyl- (2alpha,...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCc1cn(nn1)-c1ccccc1 |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540817 (Propargyl-(3alpha)-3- (propargyloxy)- (2beta)-2-hy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](OCC#C)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540826 ((1-(4- Methoxyphenyl)- 1H-1,2,3- triazol-4-yl)meth...) Show SMILES COc1ccc(cc1)-n1cc(CO[C@@H]2C[C@@]3(C)C(CC[C@]4(C)C3CC=C3C5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)OCc3cn(nn3)-c3ccc(OC)cc3)C(C)(C)[C@H]2OCc2cn(nn2)-c2ccc(OC)cc2)nn1 |r,t:26| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540824 ((1-(4- Methoxyphenyl)- 1H-1,2,3- triazol-4-yl)meth...) Show SMILES COc1ccc(cc1)-n1cc(CO[C@H]2[C@H](O)C[C@@]3(C)C(CC[C@]4(C)C3CC=C3C5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)OCc3cn(nn3)-c3ccc(OC)cc3)C2(C)C)nn1 |r,t:28| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.59E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540819 ((1-(3- mcthylphenyl)-1H- 1,2,3-triazol- 5-yl)methy...) Show SMILES CC1=CCCC(=C1)n1nncc1COC(=O)[C@]12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2 |r,c:5,t:1,27| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540828 ((3-(4- methoxyphenyl) isoxazol-5- yl) methyl-(2alp...) Show SMILES COc1ccc(cc1)-c1cc(COC(=O)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)on1 |r,t:25| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540814 (Propargyl- (2alpha,3beta)-2,3- dihydroxyolean- 12-...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCC#C |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540811 (Oleanic acid | US11266632, Compound 1) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM540827 ((3-(4- methoxyphenyl) isoxazol-5- yl) methyl-(3bet...) Show SMILES COc1ccc(cc1)-c1cc(COC(=O)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)on1 |r,t:25| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KG9
					More data for this Ligand-Target Pair