Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50010408   

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 1 (Homo sapiens (Human))	BDBM50538571 (CHEMBL4635160) Show SMILES C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r| Show InChI InChI=1S/C28H30ClN3O3S/c1-14-9-16(29)10-19(24(14)35-21-6-7-30-12-15(21)2)18-5-8-31-20-11-17(36-25(18)20)13-32-26(33)22-23(27(32)34)28(22,3)4/h5,8-11,15,21-23,30H,6-7,12-13H2,1-4H3/t15-,21+,22?,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538552 (CHEMBL4636266) Show SMILES Clc1cc2C[C@@H](Oc2c(c1)-c1ccnc2ccsc12)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C20H18ClN3O2S/c21-13-9-12-10-17(20(25)24-6-4-22-5-7-24)26-18(12)15(11-13)14-1-3-23-16-2-8-27-19(14)16/h1-3,8-9,11,17,22H,4-7,10H2/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538554 (CHEMBL4643800) Show SMILES OCc1cc2nccc(-c3cc(Cl)cc4C[C@@H](Oc34)C(=O)N3CCNCC3)c2s1 |r| Show InChI InChI=1S/C21H20ClN3O3S/c22-13-7-12-8-18(21(27)25-5-3-23-4-6-25)28-19(12)16(9-13)15-1-2-24-17-10-14(11-26)29-20(15)17/h1-2,7,9-10,18,23,26H,3-6,8,11H2/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538549 (CHEMBL4641424) Show SMILES Nc1cc(ccn1)-c1cc(Cl)cc2CC(Oc12)C(=O)N1CCNCC1 Show InChI InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538553 (CHEMBL4643218) Show SMILES Cc1cc2nccc(-c3cc(Cl)cc4C[C@@H](Oc34)C(=O)N3CCNCC3)c2s1 |r| Show InChI InChI=1S/C21H20ClN3O2S/c1-12-8-17-20(28-12)15(2-3-24-17)16-11-14(22)9-13-10-18(27-19(13)16)21(26)25-6-4-23-5-7-25/h2-3,8-9,11,18,23H,4-7,10H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50270667 (CHEMBL4130194) Show SMILES CC(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H27N3O3/c1-18(15-19-7-3-2-4-8-19)22(28)26-13-11-24(30,12-14-26)16-27-17-25-21-10-6-5-9-20(21)23(27)29/h2-10,17-18,30H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538551 (CHEMBL4641037) Show SMILES Clc1cc2C[C@@H](Oc2c(c1)-c1ccnc2[nH]ccc12)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C20H19ClN4O2/c21-13-9-12-10-17(20(26)25-7-5-22-6-8-25)27-18(12)16(11-13)14-1-3-23-19-15(14)2-4-24-19/h1-4,9,11,17,22H,5-8,10H2,(H,23,24)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538550 (CHEMBL4641014) Show SMILES Clc1cc2CC(Oc2c(c1)-c1ccnc2[nH]ccc12)C(=O)N1CCNCC1 Show InChI InChI=1S/C20H19ClN4O2/c21-13-9-12-10-17(20(26)25-7-5-22-6-8-25)27-18(12)16(11-13)14-1-3-23-19-15(14)2-4-24-19/h1-4,9,11,17,22H,5-8,10H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair