Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 10759   

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
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565105 (N-(1-cyanopyrrolidin-3-yl)-4-((5- (trifluoromethyl...) Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)S(=O)(=O)NC2CCN(C2)C#N)nc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565091 (N-(1-cyanopyrrolidin-3- yl)-[1,1'-biphenyl]-4- sul...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565108 (N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-((5-(trifluo...) Show SMILES CN(C1CCN(C1)C#N)S(=O)(=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565106 ((R)—N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-(pyridin...) Show SMILES CN([C@@H]1CCN(C1)C#N)S(=O)(=O)c1ccc(cc1)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565102 (N-(1-cyanopyrrolidin-3- yl)-4-(1-methyl-1H- pyrazo...) Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)NC1CCN(C1)C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565100 (N-(1-cyanopyrrolidin-3- yl)-4-(pyridin-4- yl)benze...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccncc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565099 (N-(1-cyanopyrrolidin-3- yl)-4'-fluoro-[1,1'- biphe...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCN(C1)C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565097 (N-(1-cyanopyrrolidin-3- yl)-4-(pyrimidin-5- yl)ben...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)-c1cncnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565096 ((4-(benzyloxy)-N-(1- cyanopyrrolidin-3- yl)benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(OCc2ccccc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565093 ((S)-N-(1-cyanopyrrolidin- 3-yl)-[1,1'-biphenyl]-4-...) Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565090 (N-(1-cyanopyrrolidin-3- yl)-[1,1'-biphenyl]-2- sul...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565104 (N-(1-cyanopyrrolidin-3-yl)-4- isopropylbenzenesulf...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NC1CCN(C1)C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565098 (N-(1-cyanopyrrolidin-3- yl)-5-phenylpyridine-2- su...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(cn1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565103 (N-(1-cyanopyrrolidin-3-yl)-6- phenoxypyridine-3-su...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(Oc2ccccc2)nc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565109 (N-([1,1'-biphenyl]-4-yl)-1-cyanopyrrolidine- 3-sul...) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1ccccc1)C1CCN(C1)C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM50418001 (CHEMBL1672421 | US11414402, Example 6) Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM50095489 (CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565101 (N-(1-cyanopyrrolidin-3- yl)-4-(piperidin-1- yl)ben...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)N1CCCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565092 ((R)-N-(1-cyanopyrrolidin- 3-yl)-[1,1'-biphenyl]-4-...) Show SMILES O=S(=O)(N[C@@H]1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM565107 (N-(5-(N-(1-cyanopyrrolidin-3-yl)sulfamoyl)pyridin-...) Show SMILES Cn1nccc1C(=O)Nc1ccc(cn1)S(=O)(=O)NC1CCN(C1)C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55RQZ
					More data for this Ligand-Target Pair