lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P62191
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P35998
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P35998
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16186
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16186
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O00487
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O00487
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q99460
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q99460
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q99436
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q99436
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28070
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28070
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P49720
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P49720
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: A5LHX3
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: A5LHX3
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P40306
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P40306
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8TAA3
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8TAA3
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O14818
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O14818
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P60900
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P60900
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28066
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28066
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25789
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25789
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25788
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25788
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25787
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25787
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25786
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25786
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28072
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28072
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28065
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28065
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28062
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28062
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28074
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28074
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P20618
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P20618
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1
InChIKey: UTMWNVYSIIRNHA-MRXNPFEDSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P49721
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 15400 nM (pChEMBL 4.809999942779541)
Descriptors: MW 383.43, ALogP 2.45, HBA 6, HBD 2, PSA 101.3, QED 0.68
Compound (SMILES): CC(=O)Nc1cccc(-c2nsc(=O)o2)c1
InChIKey: RWRKLVHBVGGNIN-UHFFFAOYSA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P49721
Assay: Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-aminoluciferin as substrate after 3 hrs by cell-based Proteasome-Glo assay
Measurement: EC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 236.25, ALogP 1.72, HBA 5, HBD 1, PSA 72.2, QED 0.86
Compound (SMILES): COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccn1)C2
InChIKey: GOYPJWIIMUWXHB-LMMKCTJWSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 346.48, ALogP 1.82, HBA 6, HBD 0, PSA 50.72, QED 0.83
Compound (SMILES): CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccsc2)CN1Cc1ccc(C)o1
InChIKey: KYSLDCFVHPHSSE-RDJZCZTQSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 375.49, ALogP 2.09, HBA 5, HBD 2, PSA 74.58, QED 0.78
Compound (SMILES): COC(=O)c1ccc2ccn(CC3CCCO3)c(=O)c2c1
InChIKey: PMBBVEBOIHEYDW-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 287.31, ALogP 1.97, HBA 5, HBD 0, PSA 57.53, QED 0.81
Compound (SMILES): c1cnn(Cc2nnc(C3CCN(C4CCOCC4)CC3)n2C2CC2)c1
InChIKey: SCRJVVJHKMYSRN-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 356.47, ALogP 2.22, HBA 7, HBD 0, PSA 61, QED 0.82
Compound (SMILES): O=C(CCc1c[nH]cn1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIKey: SMXRWIMJSNFTLL-VQTJNVASSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 349.43, ALogP 2.87, HBA 3, HBD 2, PSA 69.22, QED 0.76
Compound (SMILES): CCCN1CCCn2nc(CNS(=O)(=O)c3cccc(C#N)c3)cc2C1
InChIKey: MPAFPDMSIJSZTG-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 373.48, ALogP 1.85, HBA 6, HBD 1, PSA 91.02, QED 0.83
Compound (SMILES): COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3O)C[C@H]2C(=O)O)c1
InChIKey: JFKYSHCHQJXVJO-DLBZAZTESA-N
Target: Arginase-2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P78540
Assay: in vitro enzyme assay to detect the production of urea directly proportional to the activity of Arginase II
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 355.39, ALogP 2.65, HBA 4, HBD 2, PSA 87.07, QED 0.88
Compound (SMILES): CS(=O)(=O)NCc1cc2n(n1)CCCN(Cc1cccc(C#N)c1)C2
InChIKey: BRCLPCYXDSCULU-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 359.46, ALogP 1.21, HBA 6, HBD 1, PSA 91.02, QED 0.87
Compound (SMILES): COc1cc(C)sc1C(=O)N1CC(c2cccnc2)C1
InChIKey: HOIWVHWUVMPESL-UHFFFAOYSA-N
Target: Sialic acid-binding Ig-like lectin 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y336
Assay: Hs-Siglec9 ALPHAscreen SOP 20170721
Measurement: IC50 > 30199.52 nM (pChEMBL 4.519999980926514)
Descriptors: MW 288.37, ALogP 2.7, HBA 4, HBD 0, PSA 42.43, QED 0.87
Compound (SMILES): COc1ccc(C(=O)C2CCCN(CCCn3cccn3)C2)c(OC)c1
InChIKey: BTZPFFRPHAZWSN-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 357.45, ALogP 2.89, HBA 6, HBD 0, PSA 56.59, QED 0.68
Compound (SMILES): COc1ccc(C(=O)C2CCCN(Cc3ccncc3)C2)c(OC)c1
InChIKey: XKQDIEPSYOLYHY-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 340.42, ALogP 3.19, HBA 5, HBD 0, PSA 51.66, QED 0.76
Compound (SMILES): c1cn(Cc2nnc(C3CCN(c4nccs4)CC3)n2C2CC2)cn1
InChIKey: IRPDEOXVEKTUQE-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 355.47, ALogP 2.7, HBA 8, HBD 0, PSA 64.66, QED 0.7
Compound (SMILES): COc1ccccc1CN(C)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIKey: ZFEBXHYFLIJYCC-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 359.43, ALogP 1.91, HBA 6, HBD 1, PSA 79.04, QED 0.85
Compound (SMILES): CN(C)Cc1ccc(C2CCCCN2C(=O)c2cccc(CO)n2)cc1
InChIKey: LPCPZXSHLJFNHT-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 353.47, ALogP 3, HBA 4, HBD 1, PSA 56.67, QED 0.9
Compound (SMILES): OCC1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIKey: HVGKQQZVAZKEBO-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 354.39, ALogP 3.29, HBA 6, HBD 1, PSA 75.28, QED 0.77
Compound (SMILES): COCCN(C)C(=O)Cn1cccc(OC)c1=O
InChIKey: PMDCVHDCPWFFKS-UHFFFAOYSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 254.29, ALogP -0.04, HBA 5, HBD 0, PSA 60.77, QED 0.71
Compound (SMILES): Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC(C)(C)C(C)(O)C1
InChIKey: GRPJYFCVWXDXNF-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 347.46, ALogP 0.77, HBA 6, HBD 1, PSA 72.8, QED 0.85
Compound (SMILES): Cc1noc([C@@H]2CCCN2C(=O)C2CCN(C(=O)C3CCC3)CC2)n1
InChIKey: WZGKCHVDIUGOHU-HNNXBMFYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 346.43, ALogP 2.08, HBA 5, HBD 0, PSA 79.54, QED 0.84
Compound (SMILES): CCn1ccnc1CN1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIKey: FSYPUTPEAOUQBK-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 374.92, ALogP 4.19, HBA 4, HBD 1, PSA 50.16, QED 0.79
Compound (SMILES): COc1ccccc1Oc1ncccc1CNC(=O)C(C)N1CCCC1
InChIKey: MPKQAOKARKDVFW-UHFFFAOYSA-N
Target: Arginase-2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P78540
Assay: in vitro enzyme assay to detect the production of urea directly proportional to the activity of Arginase II
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 355.44, ALogP 2.98, HBA 5, HBD 1, PSA 63.69, QED 0.83
Compound (SMILES): COc1ccc2c(c1)OCC(CNC(=O)c1ccncc1)C2
InChIKey: JCKYSRFAUAUAMX-UHFFFAOYSA-N
Target: Arginase-2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P78540
Assay: in vitro enzyme assay to detect the production of urea directly proportional to the activity of Arginase II
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 298.34, ALogP 2.07, HBA 4, HBD 1, PSA 60.45, QED 0.94
Compound (SMILES): Cc1nc(CN2CCCC(CCc3c(F)cccc3F)C2)c[nH]1
InChIKey: AWVGPOKARKRIDF-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 319.4, ALogP 3.84, HBA 2, HBD 1, PSA 31.92, QED 0.91
Compound (SMILES): Cc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)c(C)n1C
InChIKey: HBHNONRBXXYADG-UHFFFAOYSA-N
Target: Proteasome subunit beta (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: O96673
Assay: Trypanosoma cruzi proteasome chymotrypsin-like activity (TcProtChymo) assay.
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 343.47, ALogP 2.51, HBA 3, HBD 0, PSA 45.55, QED 0.85
Compound (SMILES): CN(CCO)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIKey: BDAKKNZODGRWQQ-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 362.4, ALogP 1.2, HBA 6, HBD 1, PSA 73.05, QED 0.83
Compound (SMILES): COCC1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1
InChIKey: GXSBEJIOLWAJIH-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 352.44, ALogP 2.91, HBA 4, HBD 1, PSA 63.15, QED 0.77
Compound (SMILES): CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2
InChIKey: LFJKYZCGWXWFJE-UKRRQHHQSA-N
Target: Proteasome subunit beta (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: O96673
Assay: Trypanosoma cruzi proteasome chymotrypsin-like activity (TcProtChymo) assay.
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 349.86, ALogP 2.53, HBA 3, HBD 1, PSA 56.41, QED 0.85
Compound (SMILES): FC(F)(F)c1nc(NC2CCCC2)c2ccccc2n1
InChIKey: MSLNREOYFLHKOT-UHFFFAOYSA-N
Target: Toll-like receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYK1
Assay: Agonist activity at human TLR7 in HEK293 cells cotransfected with SEAP reporter gene assessed as activity of SEAP incubated for 24 hrs by quanti-blue staining based SEAP reporter gene assay
Measurement: EC50 = 10900 nM (pChEMBL 4.960000038146973)
Descriptors: MW 281.28, ALogP 4, HBA 3, HBD 1, PSA 37.81, QED 0.9
Compound (SMILES): COc1cccc2c1OCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)C2
InChIKey: LTFYWTYXZWLVGV-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 368.46, ALogP 0.79, HBA 5, HBD 1, PSA 84.94, QED 0.85
Compound (SMILES): Cc1nc(N)sc1C(=O)N1CCCC(c2nccn2CCCN(C)C)C1
InChIKey: HFNMHQMIQONYDU-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 376.53, ALogP 2.2, HBA 7, HBD 1, PSA 80.28, QED 0.84
Compound (SMILES): CCc1c(C)nn(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)c1C
InChIKey: IYKTXEZEGPMKSZ-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 349.48, ALogP 1.57, HBA 4, HBD 1, PSA 70.47, QED 0.88
Compound (SMILES): CC(C)c1cc(N2CCC(N)CC2)n2nccc2n1
InChIKey: VWWUISCSCVKIGN-UHFFFAOYSA-N
Target: Polyketide synthase Pks13 (SINGLE PROTEIN), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: I6X8D2
Assay: Mycobacterium tuberculosis Polyketide synthase 13 Thioesterase (PKS13)
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 259.36, ALogP 1.78, HBA 5, HBD 1, PSA 59.45, QED 0.89
Compound (SMILES): O=C(c1ccc(C2CCCO2)s1)N1Cc2ccccc2C1
InChIKey: YJLBXVWFCBRGEV-UHFFFAOYSA-N
Target: Proteasome subunit beta (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: O96673
Assay: Trypanosoma cruzi proteasome chymotrypsin-like activity (TcProtChymo) assay.
Measurement: IC50 = 16134.96 nM (pChEMBL 4.789999961853027)
Descriptors: MW 299.4, ALogP 3.76, HBA 3, HBD 0, PSA 29.54, QED 0.84
Compound (SMILES): COc1ccc(NC(=O)CCC2CCCN(Cc3ncon3)C2)cc1Cl
InChIKey: BRQWKWDNGJXBCI-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 378.86, ALogP 3.36, HBA 6, HBD 1, PSA 80.49, QED 0.8
Compound (SMILES): NC(=O)C1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1
InChIKey: QKKPKONRMGKVPA-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 331.42, ALogP 0.86, HBA 4, HBD 1, PSA 75.87, QED 0.89
Compound (SMILES): CCC(C(=O)NC)N(c1cccc(C)c1)S(C)(=O)=O
InChIKey: ARGRQEIPTIQHDK-UHFFFAOYSA-N
Target: Arginase-2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P78540
Assay: in vitro enzyme assay to detect the production of urea directly proportional to the activity of Arginase II
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 284.38, ALogP 1.29, HBA 3, HBD 1, PSA 66.48, QED 0.89
Compound (SMILES): CCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(OC)c(C)c1
InChIKey: LQERXOOAMOEAGA-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 368.5, ALogP 2.24, HBA 4, HBD 1, PSA 75.71, QED 0.84
Compound (SMILES): Cc1ccc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2N(C)C)cc1
InChIKey: HDXPDVBEPSDJQV-LSDHHAIUSA-N
Target: Arginase-2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P78540
Assay: in vitro enzyme assay to detect the production of urea directly proportional to the activity of Arginase II
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 311.45, ALogP 1.13, HBA 3, HBD 0, PSA 43.86, QED 0.84
Compound (SMILES): CN(C)Cc1nnc(C2CCN(C(=O)CCc3cccs3)CC2)n1C
InChIKey: MTOVDUHKJPQISE-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 361.51, ALogP 2.28, HBA 6, HBD 0, PSA 54.26, QED 0.79
Compound (SMILES): O=C1N(Cc2cccc(F)c2F)CCCC1(O)CNC1CCCC1
InChIKey: FXVJYQJHJAJVPL-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 338.4, ALogP 2.35, HBA 3, HBD 2, PSA 52.57, QED 0.87
Compound (SMILES): Cc1ccc2c(ccn2CCC(=O)O)c1
InChIKey: LUGRUQKMQDKPLR-UHFFFAOYSA-N
Target: Protein translocase subunit SecA (SINGLE PROTEIN), Escherichia coli (strain K12)
UniProt: P10408
Assay: Assay to Identify E. coli SecA ATPase Inhibitors
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 203.24, ALogP 2.42, HBA 2, HBD 1, PSA 42.23, QED 0.83
Compound (SMILES): Cc1c(CN2CCOCC2)c(O)n(CCO)c(=O)c1C#N
InChIKey: WUUHKCNYGBLTOQ-UHFFFAOYSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 = 35268.74 nM (pChEMBL 4.449999809265137)
Descriptors: MW 293.32, ALogP -0.44, HBA 7, HBD 2, PSA 98.72, QED 0.78
Compound (SMILES): N#CCCSc1sc2c(O)cc(O)nc2c1C#N
InChIKey: FYBRQWMMUDIJKS-UHFFFAOYSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 = 18722.82 nM (pChEMBL 4.730000019073486)
Descriptors: MW 277.33, ALogP 2.58, HBA 7, HBD 2, PSA 100.93, QED 0.66
Compound (SMILES): CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O
InChIKey: VZUICKHVFAHDHG-ZSOIEALJSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 = 58660.25 nM (pChEMBL 4.230000019073486)
Descriptors: MW 348.36, ALogP 2.07, HBA 6, HBD 2, PSA 108.01, QED 0.64
Compound (SMILES): CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O
InChIKey: MRNLJXFFDTZATL-QPEQYQDCSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 368.78, ALogP 2.42, HBA 6, HBD 2, PSA 108.01, QED 0.62
Compound (SMILES): CCn1cc(-c2cc(C(F)F)n3nc(CC(=O)O)nc3n2)cn1
InChIKey: OVYMLTVSDOZADO-UHFFFAOYSA-N
Target: Polyketide synthase Pks13 (SINGLE PROTEIN), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: I6X8D2
Assay: Mycobacterium tuberculosis Polyketide synthase 13 Thioesterase (PKS13)
Measurement: IC50 = 15700.45 nM (pChEMBL 4.800000190734863)
Descriptors: MW 322.28, ALogP 1.57, HBA 7, HBD 1, PSA 98.2, QED 0.77
Compound (SMILES): NC(=O)CSc1nccc(-c2ccc3c(c2)OCO3)n1
InChIKey: IDKMKXFVUKLZNC-UHFFFAOYSA-N
Target: Polyketide synthase Pks13 (SINGLE PROTEIN), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: I6X8D2
Assay: Mycobacterium tuberculosis Polyketide synthase 13 Thioesterase (PKS13)
Measurement: IC50 = 19954.4 nM (pChEMBL 4.699999809265137)
Descriptors: MW 289.32, ALogP 1.45, HBA 6, HBD 1, PSA 87.33, QED 0.68
Compound (SMILES): CC(C)c1cc(CN2CCC(CC(=O)O)CC2)no1
InChIKey: BJJNVYBAGWWOAY-UHFFFAOYSA-N
Target: Polyketide synthase Pks13 (SINGLE PROTEIN), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: I6X8D2
Assay: Mycobacterium tuberculosis Polyketide synthase 13 Thioesterase (PKS13)
Measurement: IC50 = 12279.47 nM (pChEMBL 4.909999847412109)
Descriptors: MW 266.34, ALogP 2.48, HBA 4, HBD 1, PSA 66.57, QED 0.89
Compound (SMILES): Cn1cc(-c2cc(C(F)F)n3nc(CCC(=O)O)nc3n2)cn1
InChIKey: VAJOBSVZHAFTQD-UHFFFAOYSA-N
Target: Polyketide synthase Pks13 (SINGLE PROTEIN), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: I6X8D2
Assay: Mycobacterium tuberculosis Polyketide synthase 13 Thioesterase (PKS13)
Measurement: IC50 = 12047.63 nM (pChEMBL 4.920000076293945)
Descriptors: MW 322.27, ALogP 1.48, HBA 7, HBD 1, PSA 98.2, QED 0.76
Compound (SMILES): COCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(C)cc1
InChIKey: UUXSEHLVOVGCAZ-UHFFFAOYSA-N
Target: Protein translocase subunit SecA (SINGLE PROTEIN), Escherichia coli (strain K12)
UniProt: P10408
Assay: Assay to Identify E. coli SecA ATPase Inhibitors
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 314.39, ALogP 2.39, HBA 5, HBD 1, PSA 69.04, QED 0.92
Compound (SMILES): CCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(OC)cc1
InChIKey: PJJDKBMQAVHOKS-UHFFFAOYSA-N
Target: Protein translocase subunit SecA (SINGLE PROTEIN), Escherichia coli (strain K12)
UniProt: P10408
Assay: Assay to Identify E. coli SecA ATPase Inhibitors
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 328.42, ALogP 2.9, HBA 5, HBD 1, PSA 69.04, QED 0.89
Compound (SMILES): CCn1cc(CN(C)S(=O)(=O)c2cnn(CC)c2C)c(C)n1
InChIKey: HLHMNBUARQNBDQ-UHFFFAOYSA-N
Target: Protein translocase subunit SecA (SINGLE PROTEIN), Escherichia coli (strain K12)
UniProt: P10408
Assay: Assay to Identify E. coli SecA ATPase Inhibitors
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 325.44, ALogP 1.56, HBA 6, HBD 0, PSA 73.02, QED 0.81
Compound (SMILES): CC(C)N1CCC(Cc2cc(-c3ccccc3C(=O)O)ncn2)CC1
InChIKey: QHJOPNVYHMQQLX-UHFFFAOYSA-N
Target: Ubiquitin-activating enzyme e1, putative (SINGLE PROTEIN), Leishmania donovani (strain BPK282A1)
UniProt: E9BSI1
Assay: Leishmania donovani Ubiquitin Activating Enzyme (LdE1)
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 339.44, ALogP 3.5, HBA 4, HBD 1, PSA 66.32, QED 0.9
Compound (SMILES): CN(C)CC1(O)CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIKey: OZAHBMINPVVPMW-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 302.37, ALogP 0.51, HBA 4, HBD 1, PSA 60.85, QED 0.88
Compound (SMILES): CN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C
InChIKey: XNASMUZLMPPNEP-UHFFFAOYSA-N
Target: Ubiquitin-activating enzyme e1, putative (SINGLE PROTEIN), Leishmania donovani (strain BPK282A1)
UniProt: E9BSI1
Assay: Leishmania donovani Ubiquitin Activating Enzyme (LdE1)
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 325.4, ALogP 2.31, HBA 6, HBD 0, PSA 63.91, QED 0.73
Compound (SMILES): O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)NC1CCCCC1
InChIKey: FVDOUNFGWSUART-UHFFFAOYSA-N
Target: Chromo domain-containing protein 1 (SINGLE PROTEIN), Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
UniProt: P32657
Assay: ScCHD-1 Enzyme Inhibition Assay
Measurement: IC50 > 29512.09 nM (pChEMBL 4.53000020980835)
Descriptors: MW 354.41, ALogP 2.29, HBA 6, HBD 1, PSA 82.06, QED 0.76
Compound (SMILES): Cc1nccn1-c1cccc(C2CCCN(C3CCCCC3)C2)n1
InChIKey: UCFWEJOCIUJCGZ-UHFFFAOYSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 = 36698.87 nM (pChEMBL 4.429999828338623)
Descriptors: MW 324.47, ALogP 4.09, HBA 4, HBD 0, PSA 33.95, QED 0.85
Compound (SMILES): CNC(=O)C1(c2cnccn2)CCCN1C(=O)c1ccn(C)n1
InChIKey: LCPGWSSOBDVKCE-UHFFFAOYSA-N
Target: Tyrosyl-tRNA synthetase, putative (SINGLE PROTEIN), Trypanosoma cruzi (strain CL Brener)
UniProt: Q4DSP6
Assay: Trypanosoma cruzi tyrosyl tRNA synthetase (TcYRS) SOP
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 314.35, ALogP 0.09, HBA 6, HBD 1, PSA 93.01, QED 0.87
Compound (SMILES): NC(=O)C1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1
InChIKey: MGOBOEIMDOXYRQ-UHFFFAOYSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 = 67762.84 nM (pChEMBL 4.170000076293945)
Descriptors: MW 324.38, ALogP 2.52, HBA 4, HBD 2, PSA 88.15, QED 0.77
Compound (SMILES): OC1CCCN(Cc2c(-c3ccco3)[nH]c3ncccc23)C1
InChIKey: KREMQPAXYZWGNZ-UHFFFAOYSA-N
Target: Histidine--tRNA ligase (SINGLE PROTEIN), Leishmania infantum
UniProt: A4I591
Assay: Leishmania infantum Histidine tRNA synthetase (LdHisRS)
Measurement: IC50 = 58662.99 nM (pChEMBL 4.230000019073486)
Descriptors: MW 297.36, ALogP 2.78, HBA 4, HBD 2, PSA 65.29, QED 0.78
Compound (SMILES): CCCN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C
InChIKey: LBSDJBCYCRHYFS-UHFFFAOYSA-N
Target: Ubiquitin-activating enzyme e1, putative (SINGLE PROTEIN), Leishmania donovani (strain BPK282A1)
UniProt: E9BSI1
Assay: Leishmania donovani Ubiquitin Activating Enzyme (LdE1)
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 353.45, ALogP 3.09, HBA 6, HBD 0, PSA 63.91, QED 0.72