Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50007936   

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))	BDBM50514120 (CHEMBL3407553) Show SMILES CC(=O)O\N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 Show InChI InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Competitive inhibition of UCHL1 in human H1299 cells using Ub-AMC substrate				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50514118 (CHEMBL4590454) Show SMILES Cn1nc2c(ncn(CC3(O)CCN(CC3)C(=O)C[C@H](c3ccccc3)C(F)(F)F)c2=O)c1Cc1ccc(CN)cc1 |r| Show InChI InChI=1S/C30H33F3N6O3/c1-37-24(15-20-7-9-21(17-34)10-8-20)26-27(36-37)28(41)39(19-35-26)18-29(42)11-13-38(14-12-29)25(40)16-23(30(31,32)33)22-5-3-2-4-6-22/h2-10,19,23,42H,11-18,34H2,1H3/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of USP7 (unknown origin) using Ub-Rh110 substrate				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
COP9 signalosome complex subunit 5 (Homo sapiens (Human))	BDBM50514114 (CHEMBL4528101) Show SMILES CC(C)n1nc(cc1C(=O)Nc1ccc([C@H]2[C@@H](O)CCCc3cncn23)c(c1)-c1ccccc1)C(F)F |r| Show InChI InChI=1S/C28H29F2N5O2/c1-17(2)35-24(14-23(33-35)27(29)30)28(37)32-19-11-12-21(22(13-19)18-7-4-3-5-8-18)26-25(36)10-6-9-20-15-31-16-34(20)26/h3-5,7-8,11-17,25-27,36H,6,9-10H2,1-2H3,(H,32,37)/t25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CSN5 (unknown origin) using fluorescence-labeled CRL substrate by TR-FRET assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 4 (Homo sapiens (Human))	BDBM50514113 (CHEMBL4593739) Show SMILES Cn1cc(cc1C(=O)NCc1ccc(cc1)C#C)C(=O)CCl Show InChI InChI=1S/C17H15ClN2O2/c1-3-12-4-6-13(7-5-12)10-19-17(22)15-8-14(11-20(15)2)16(21)9-18/h1,4-8,11H,9-10H2,2H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of USP4 in human U2OS using Ub-TAMRA substrate by Ub-Rhodamine fluorescent intensity assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50514119 (CHEMBL4515625) Show SMILES Cc1ccn(n1)[C@@H](CC(=O)N1CCC(O)(Cn2cnc3n(Cc4ccc(F)cc4)ncc3c2=O)CC1)C(F)F |r| Show InChI InChI=1S/C26H28F3N7O3/c1-17-6-9-35(32-17)21(23(28)29)12-22(37)33-10-7-26(39,8-11-33)15-34-16-30-24-20(25(34)38)13-31-36(24)14-18-2-4-19(27)5-3-18/h2-6,9,13,16,21,23,39H,7-8,10-12,14-15H2,1H3/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of USP7 C-terminal domain (unknown origin) (208 to 1102 residues) expressed in Sf9 cells using monoubiquitinated ubiquitin-rhodamine subst...				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
COP9 signalosome complex subunit 5 (Homo sapiens (Human))	BDBM50514115 (CHEMBL4447716) Show SMILES Cc1ccc(-c2[nH]c3ncccc3c2CCC(=O)N2CCOC[C@H]2c2nc3ccccc3[nH]2)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O2/c1-22-13-14-25(27(20-22)23-8-3-2-4-9-23)32-24(26-10-7-17-35-33(26)38-32)15-16-31(40)39-18-19-41-21-30(39)34-36-28-11-5-6-12-29(28)37-34/h2-14,17,20,30H,15-16,18-19,21H2,1H3,(H,35,38)(H,36,37)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CSN5 (unknown origin) using fluorescence-labeled CRL substrate by TR-FRET assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50514122 (CHEMBL4548694) Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCN(C)CC4)ccc3c2=O)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H42N6O4/c1-24(25-6-4-3-5-7-25)20-30(40)37-14-11-32(42,12-15-37)22-38-23-33-28-21-26(8-9-27(28)31(38)41)34-29(39)10-13-36-18-16-35(2)17-19-36/h3-9,21,23-24,42H,10-20,22H2,1-2H3,(H,34,39)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human full-length USP7 (1 to 1102 amino acids) expressed in Escherichia coli BL21(DE3) incubated 30 mins by Ubiquitin-AMC assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
STAM-binding protein (Homo sapiens (Human))	BDBM50514117 (CHEMBL4586347) Show SMILES O=C(CSc1nc2ccc(cc2c(=O)n1CCc1ccccc1)N1CCOCC1)NCc1ccco1 Show InChI InChI=1S/C27H28N4O4S/c32-25(28-18-22-7-4-14-35-22)19-36-27-29-24-9-8-21(30-12-15-34-16-13-30)17-23(24)26(33)31(27)11-10-20-5-2-1-3-6-20/h1-9,14,17H,10-13,15-16,18-19H2,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human STAMBP expressed in Sf21 cells pre-incubated for 20 mins before Ubiquitinated NALP7 substrate addition and measured after 1 hr by...				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 28 (Homo sapiens)	BDBM50514121 (CHEMBL4442615) Show SMILES OCCNCc1cc(Br)ccc1OCc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C17H16BrF4NO2/c18-13-2-4-16(12(8-13)9-23-5-6-24)25-10-11-1-3-15(19)14(7-11)17(20,21)22/h1-4,7-8,23-24H,5-6,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of USP28 (unknown origin)				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50250947 (CHEMBL4092976) Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(nc1)C(=O)NC Show InChI InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of recombinant USP7 (unknown origin) by mass spectrometry based activity assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 2 (Homo sapiens (Human))	BDBM50514116 (CHEMBL4458718) Show SMILES [H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@]2([H])C[C@H](O)CC[C@]12C)[C@H](C)CCC(=O)NO |r| Show InChI InChI=1S/C25H43NO3/c1-16(5-8-22(28)26-29)19-6-7-20-24(19,3)14-11-21-23(2)13-10-18(27)15-17(23)9-12-25(20,21)4/h16-21,27,29H,5-15H2,1-4H3,(H,26,28)/t16-,17-,18-,19-,20-,21-,23+,24-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of USP2 (unknown origin) using Ub-AMC substrate				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 14 (Homo sapiens (Human))	BDBM50437694 (CHEMBL1410015) Show SMILES Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of full-length human USP14 using Ub-AMC substrate				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50514113 (CHEMBL4593739) Show SMILES Cn1cc(cc1C(=O)NCc1ccc(cc1)C#C)C(=O)CCl Show InChI InChI=1S/C17H15ClN2O2/c1-3-12-4-6-13(7-5-12)10-19-17(22)15-8-14(11-20(15)2)16(21)9-18/h1,4-8,11H,9-10H2,2H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of USP7 in human U2OS using Ub-TAMRA substrate by Ub-Rhodamine fluorescent intensity assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138 BindingDB Entry DOI: 10.7270/Q2GF0XTC
					More data for this Ligand-Target Pair