lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc(/C(C)=N/N2C(=O)c3ccccc3NC2c2ccc(O)c(OC)c2)cc1
InChIKey: DKZHMKMREXNSFR-CVKSISIWSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 417.47, ALogP 4.4, HBA 6, HBD 2, PSA 83.39, QED 0.6
Compound (SMILES): COc1ccc(CN2C(=O)c3ccccc3C(/C=N\OCc3ccc(C)cc3)C2=O)cc1
InChIKey: LCNDJLGADXGUPA-DICXZTSXSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 428.49, ALogP 4.47, HBA 5, HBD 0, PSA 68.2, QED 0.32
Compound (SMILES): CCCCNC(=O)N(O)C1N(/N=C/c2ccccc2O)C(=S)SC1(C)C
InChIKey: LKEJRQHWIYWHOR-YBFXNURJSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 396.54, ALogP 3.37, HBA 6, HBD 3, PSA 88.4, QED 0.22
Compound (SMILES): COc1ccc(C(=O)Oc2ccc(/C=N/Nc3ccc(Cl)c(C(=O)O)c3)cc2OC)cc1
InChIKey: ZIKNNCHRZJGBJL-DHRITJCHSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 2238.7 nM (pChEMBL 5.650000095367432)
Descriptors: MW 454.87, ALogP 4.72, HBA 7, HBD 2, PSA 106.45, QED 0.22
Compound (SMILES): C/C(CC1CC(C)(C)OC1=O)=N\NC(N)=S
InChIKey: GVWJKWINDZCJTD-WUXMJOGZSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 243.33, ALogP 0.93, HBA 4, HBD 2, PSA 76.71, QED 0.33
Compound (SMILES): Cl.Nn1cnnc1N/N=C/c1cc(Br)cc(Br)c1O
InChIKey: SNDBUJJWVFFMOR-QPZBGDMRSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 44562.5 nM (pChEMBL 4.349999904632568)
Descriptors: MW 376.01, ALogP 1.67, HBA 7, HBD 3, PSA 101.35, QED 0.43
Compound (SMILES): CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(OC)cc2)cc1
InChIKey: CJSCDVGZLMOFLO-ZVHZXABRSA-N
Target: Thioredoxin glutathione reductase (SINGLE PROTEIN), Schistosoma mansoni
UniProt: Q962Y6
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]
Measurement: Potency = 44668.4 nM (pChEMBL 4.349999904632568)
Descriptors: MW 396.45, ALogP 2.72, HBA 5, HBD 3, PSA 108.89, QED 0.38
Compound (SMILES): O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1Cl
InChIKey: XNFQPYSGAOHASC-XDHOZWIPSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 100000 nM (pChEMBL 4)
Descriptors: MW 352.82, ALogP 0.63, HBA 5, HBD 2, PSA 83.03, QED 0.34
Compound (SMILES): O=C(N/N=C/c1ccco1)c1ccc(Br)o1
InChIKey: UMUXYTHSWRORAF-WUXMJOGZSA-N
Target: Cytochrome P450 1A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05177
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 283.08, ALogP 2.4, HBA 4, HBD 1, PSA 67.74, QED 0.69
Compound (SMILES): CCOc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1
InChIKey: UPRJRIMOUHFTKA-UFFVCSGVSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 381.35, ALogP 2.69, HBA 9, HBD 0, PSA 121.74, QED 0.2
Compound (SMILES): O=[N+]([O-])c1cccc(N/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIKey: NNRLZDQFBNPUON-QGOAFFKASA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 326.36, ALogP 2.88, HBA 6, HBD 1, PSA 80, QED 0.52
Compound (SMILES): COc1cccc(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1OC
InChIKey: NSORTSDKYXPARM-JLPGSUDCSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 496.59, ALogP 4.04, HBA 7, HBD 1, PSA 73.05, QED 0.46
Compound (SMILES): COc1ccc2[nH]c3c(=O)n(CCCC(=O)NC4CCCCC4C)c(=S)[nH]c3c2c1
InChIKey: OCTAEBMTFXYRGK-UHFFFAOYSA-N
Target: NS3 (SINGLE PROTEIN), Hepatitis C virus
UniProt: A3EZJ3
Assay: PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3). (Class of assay: confirmatory) [Related pubchem assays: 1830 (Summary AID.), 1800 (Primary screen (NS3 inhibitors).), 1943 (Confirmation screen (NS3 inhibitors).)]
Measurement: IC50 = 45706 nM (pChEMBL 4.340000152587891)
Descriptors: MW 428.56, ALogP 4.02, HBA 5, HBD 3, PSA 91.91, QED 0.52
Compound (SMILES): Cc1cc(O)ccc1/N=C/c1c(C(F)(F)F)n[nH]c1O
InChIKey: HHIDBKPOXBPKFC-FZSIALSZSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 285.23, ALogP 2.9, HBA 4, HBD 3, PSA 81.5, QED 0.74
Compound (SMILES): C/C(=N\NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1
InChIKey: PNAZGMAQDPMFIA-LTGZKZEYSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 321.42, ALogP 3.83, HBA 3, HBD 1, PSA 44.7, QED 0.69
Compound (SMILES): CCOC(=O)C1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)C1
InChIKey: XSXCSYAHZMXMRV-ZPHPHTNESA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 397.5, ALogP 3.88, HBA 7, HBD 1, PSA 86.45, QED 0.45
Compound (SMILES): Cc1ccccc1NC(=S)N/N=C/c1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIKey: YHJDAQREFKAHPQ-BUVRLJJBSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 455.61, ALogP 3.97, HBA 4, HBD 3, PSA 89.59, QED 0.31
Compound (SMILES): C/C(=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C
InChIKey: QSEGVTDFOQPCDJ-FOWTUZBSSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 370.43, ALogP 2.06, HBA 7, HBD 1, PSA 114.14, QED 0.47
Compound (SMILES): Nc1ccc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIKey: OJHNAPMDUGXXLJ-OEAKJJBVSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 407.5, ALogP 2.99, HBA 7, HBD 2, PSA 92.84, QED 0.39
Compound (SMILES): O=C(N/N=C/c1ccccn1)C(O)c1ccccc1
InChIKey: MKHMXOHHUMKAJA-MHWRWJLKSA-N
Target: 4'-phosphopantetheinyl transferase ffp (SINGLE PROTEIN), Bacillus subtilis
UniProt: Q9F4F7
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 
Measurement: Potency = 89125.1 nM (pChEMBL 4.050000190734863)
Descriptors: MW 255.28, ALogP 1.27, HBA 4, HBD 2, PSA 74.58, QED 0.64
Compound (SMILES): COCCn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21
InChIKey: CZYSUKRIVSHGPN-PNHLSOANSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 524.65, ALogP 4.01, HBA 8, HBD 1, PSA 116.64, QED 0.36
Compound (SMILES): CC(=N)/C(C#N)=C(/O)CSc1nnc(NC(C)C)s1
InChIKey: QXOQXGKMDORREL-APJXURGLSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 297.41, ALogP 2.83, HBA 8, HBD 3, PSA 105.68, QED 0.32
Compound (SMILES): CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CC(=O)CC(C)(C)C2)c1
InChIKey: SWFMZGJYGOOXLG-HMMYKYKNSA-N
Target: Tyrosyl-DNA phosphodiesterase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUW8
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 393.51, ALogP 2.58, HBA 5, HBD 1, PSA 95.91, QED 0.75
Compound (SMILES): C[n+]1ccccc1C1CCCC/C1=N\NC(N)=S.[Cl-]
InChIKey: NPZKQDGJVIFWSU-KRWCAOSLSA-N
Target: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZU7
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120]
Measurement: IC50 = 5714 nM (pChEMBL 5.239999771118164)
Descriptors: MW 263.39, ALogP 1.36, HBA 2, HBD 2, PSA 54.29, QED 0.48
Compound (SMILES): O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIKey: MISVLKVZKXJZGF-RGVLZGJSSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 449.26, ALogP 3.32, HBA 6, HBD 3, PSA 133.93, QED 0.32
Compound (SMILES): CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)C(C)(C)C
InChIKey: BTWCGUSSPMYFJJ-MOHJPFBDSA-N
Target: Cytochrome P450 2C19 (SINGLE PROTEIN), Homo sapiens
UniProt: P33261
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 426.47, ALogP 1.95, HBA 8, HBD 0, PSA 104.26, QED 0.46
Compound (SMILES): O=C(CC1S/C(=N\c2ccc(OC(F)F)cc2)N(CCN2CCOCC2)C1=O)Nc1ccc(F)cc1F
InChIKey: GKTTUBYTNDRHRO-OLFWJLLRSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 540.54, ALogP 3.86, HBA 7, HBD 1, PSA 83.47, QED 0.49
Compound (SMILES): COc1ccc(/C(C)=N/Nc2nncc3ccccc23)cc1
InChIKey: NGPIFBUOEAGNCR-XDHOZWIPSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 707.9 nM (pChEMBL 6.150000095367432)
Descriptors: MW 292.34, ALogP 3.47, HBA 5, HBD 1, PSA 59.4, QED 0.59
Compound (SMILES): CC(Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIKey: WIMFHPKYBHCUFP-FYJGNVAPSA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 362.39, ALogP 3.7, HBA 5, HBD 2, PSA 96.63, QED 0.4
Compound (SMILES): COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1
InChIKey: KZEADLVWXDALNK-ZZEZOPTASA-N
Target: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 340.34, ALogP 2.49, HBA 6, HBD 2, PSA 107.28, QED 0.76
Compound (SMILES): O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1[N+](=O)[O-]
InChIKey: CVPVTYJPTQCEBK-GIJQJNRQSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 323.31, ALogP 2.09, HBA 6, HBD 1, PSA 102.42, QED 0.44
Compound (SMILES): Cc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)c(C)c2c1
InChIKey: SWMNLIQMLPHHHS-VXLYETTFSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 307.35, ALogP 3.25, HBA 3, HBD 3, PSA 77.48, QED 0.51
Compound (SMILES): Cc1ncc(CO)c(/C=N/NC(=O)c2ccccc2Br)c1O
InChIKey: RSAYOSYNEADMQN-CNHKJKLMSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 364.2, ALogP 2.11, HBA 5, HBD 3, PSA 94.81, QED 0.57
Compound (SMILES): COCC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1
InChIKey: FZTOQPYIWWBUAX-CRZZXXEWSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 354.41, ALogP 2.88, HBA 5, HBD 1, PSA 69.15, QED 0.56
Compound (SMILES): CCCn1ncc(/C=N/O)c1C
InChIKey: YEZAFKAJKMZCIF-UXBLZVDNSA-N
Target: DNA polymerase beta (SINGLE PROTEIN), Homo sapiens
UniProt: P06746
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 
Measurement: Potency = 281.8 nM (pChEMBL 6.550000190734863)
Descriptors: MW 167.21, ALogP 1.41, HBA 4, HBD 1, PSA 50.41, QED 0.42
Compound (SMILES): Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2cc3ccccc3o2)c1C
InChIKey: RCYSCGAQOWEWDJ-DHRITJCHSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 281.8 nM (pChEMBL 6.550000190734863)
Descriptors: MW 415.45, ALogP 4.61, HBA 5, HBD 2, PSA 96.83, QED 0.37
Compound (SMILES): CC(=O)c1ccc(OCc2cc(C(=O)N3C[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)no2)cc1
InChIKey: DOFNVVXTRBWLGJ-LRNSACPNSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 394.47, ALogP 4.11, HBA 5, HBD 0, PSA 72.64, QED 0.71
Compound (SMILES): COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1
InChIKey: MSJXYPQBMKXELD-FYJGNVAPSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 373.84, ALogP 2.95, HBA 5, HBD 1, PSA 63.16, QED 0.65
Compound (SMILES): CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(C)o2)nnn1-c1nonc1N
InChIKey: ZQKAUULIQNKFDP-QGMBQPNBSA-N
Target: Ferritin light chain (SINGLE PROTEIN), Equus caballus
UniProt: P02791
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]
Measurement: Potency = 56234.1 nM (pChEMBL 4.25)
Descriptors: MW 387.4, ALogP 0.74, HBA 11, HBD 2, PSA 153.49, QED 0.42
Compound (SMILES): COc1cc2c(cc1OC)C(/C(C#N)=N\O)=NC(C)(C)C2
InChIKey: LSNJMZMIBWMKJT-WQRHYEAKSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 287.32, ALogP 2.18, HBA 6, HBD 1, PSA 87.2, QED 0.52
Compound (SMILES): O=C(N/N=C/c1ccc2cccnc2c1)c1ccco1
InChIKey: VPGNYSZKJPPHOY-LICLKQGHSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 891.3 nM (pChEMBL 6.050000190734863)
Descriptors: MW 265.27, ALogP 2.59, HBA 4, HBD 1, PSA 67.49, QED 0.58
Compound (SMILES): CCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIKey: FHKPGTROQGHUSW-HMMYKYKNSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 294.4, ALogP 2.8, HBA 4, HBD 0, PSA 31.73, QED 0.81
Compound (SMILES): O=C(CC1SC(N/N=C/c2ccco2)=NC1=O)Nc1cccc(Cl)c1Cl
InChIKey: DWAGVSGJBODARQ-UFWORHAWSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 411.27, ALogP 3.54, HBA 6, HBD 2, PSA 96.06, QED 0.58
Compound (SMILES): C=CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl
InChIKey: LEKJJGRZVQTHFH-RGVLZGJSSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 349.22, ALogP 4.32, HBA 3, HBD 1, PSA 50.69, QED 0.48
Compound (SMILES): CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1
InChIKey: HBVVOGXOEJRPQF-OVVQPSECSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 500.07, ALogP 5.22, HBA 6, HBD 0, PSA 70.8, QED 0.4
Compound (SMILES): Cc1c(NC(=S)N/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C
InChIKey: OHDZQVXPWCXBMO-UDWIEESQSA-N
Target: 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (SINGLE PROTEIN), Homo sapiens
UniProt: P15428
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 381.46, ALogP 2.51, HBA 6, HBD 3, PSA 83.58, QED 0.37
Compound (SMILES): COCCn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21
InChIKey: OHUXDMQVIFMYNE-PEZBUJJGSA-N
Target: Inositol monophosphatase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97697
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 342.42, ALogP 2.2, HBA 6, HBD 0, PSA 60.66, QED 0.84
Compound (SMILES): COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C(C)Nc2ccccc2C)c1O
InChIKey: ZSWKABVFLVZEJK-VXLYETTFSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 372.38, ALogP 2.57, HBA 7, HBD 3, PSA 126.09, QED 0.39
Compound (SMILES): Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/N=C(N)N)cc1
InChIKey: KCHFGJOXPLWNIY-VCHYOVAHSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 15811.4 nM (pChEMBL 4.800000190734863)
Descriptors: MW 332.39, ALogP 1.37, HBA 5, HBD 2, PSA 120.13, QED 0.37
Compound (SMILES): CCOCCCn1/c(=N/C(=O)c2cccs2)c(C#N)cc2c(=O)n3cccc(C)c3nc21
InChIKey: IKQRPKIHRVKYDG-LHLOQNFPSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 447.52, ALogP 3.06, HBA 8, HBD 0, PSA 101.75, QED 0.33
Compound (SMILES): O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc3ncccc23)c1
InChIKey: ZTJJRSBYMLJRGS-VCHYOVAHSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 293.28, ALogP 3.6, HBA 5, HBD 1, PSA 88.62, QED 0.45
Compound (SMILES): O=S1(=O)N=C(N/N=C/C=C/c2ccccc2)c2ccccc21
InChIKey: NGXHCDTWYUEPMU-YIERNNEGSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 311.37, ALogP 2.42, HBA 4, HBD 1, PSA 70.89, QED 0.7
Compound (SMILES): C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccncc1
InChIKey: SZVXXWRSXUHUSZ-HZHRSRAPSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 382.43, ALogP 4.2, HBA 8, HBD 3, PSA 100.01, QED 0.33
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1
InChIKey: XLXJSSLGTLNVHC-BUVRLJJBSA-N
Target: ATP-dependent DNA helicase Q1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46063
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))]
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 390.44, ALogP 4.05, HBA 5, HBD 1, PSA 69.15, QED 0.47
Compound (SMILES): Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)o1
InChIKey: UKNKEGYIDYLOHW-DJKKODMXSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 378.35, ALogP 1.56, HBA 10, HBD 2, PSA 150.25, QED 0.39
Compound (SMILES): C/C(=N\Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(O)cc1
InChIKey: JWEDHVBXPJYSFZ-XSFVSMFZSA-N
Target: Rac GTPase-activating protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0H5
Assay: PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) 
Measurement: IC50  23430 nM (pChEMBL 4.630000114440918)
Descriptors: MW 374.47, ALogP 2.8, HBA 6, HBD 2, PSA 94.89, QED 0.62
Compound (SMILES): Cc1ccsc1/C=N/n1c(S)nnc1C1CCCCC1
InChIKey: HFCJLKZGRPUKMW-OQLLNIDSSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 306.46, ALogP 3.87, HBA 6, HBD 1, PSA 43.07, QED 0.69
Compound (SMILES): COc1ccccc1NC(=O)CC1SC(N/N=C(\C)C2CCCCC2)=NC1=O
InChIKey: LXSATWBZQNSYNK-YDZHTSKRSA-N
Target: Nonstructural protein 1 (SINGLE PROTEIN), Influenza A virus
UniProt: Q194T2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 402.52, ALogP 3.57, HBA 6, HBD 2, PSA 92.15, QED 0.56
Compound (SMILES): Cc1cccn2c(=O)c(/C=N/O)c(N3CCOCC3)nc12
InChIKey: BCQHNFNZJNRUFZ-OQLLNIDSSA-N
Target: Thioredoxin glutathione reductase (SINGLE PROTEIN), Schistosoma mansoni
UniProt: Q962Y6
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]
Measurement: Potency = 89125.1 nM (pChEMBL 4.050000190734863)
Descriptors: MW 288.31, ALogP 0.65, HBA 7, HBD 1, PSA 79.43, QED 0.5
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1
InChIKey: LWSYTJWXSMGIKM-WSDLNYQXSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 408.92, ALogP 4.57, HBA 7, HBD 1, PSA 60.89, QED 0.4
Compound (SMILES): O=[N+]([O-])c1ccc(/C=N/N=C(/Nc2ccccn2)c2ccccn2)cc1
InChIKey: MGSFMLQIWJDPBN-FYJGNVAPSA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 346.35, ALogP 3.28, HBA 6, HBD 1, PSA 105.67, QED 0.33
Compound (SMILES): Cc1ccc(NCC(=O)N/N=C/c2ccncc2)cc1
InChIKey: AIXOHLPBLQAGLC-VCHYOVAHSA-N
Target: Beta-adrenergic receptor kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25098
Assay: Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 268.32, ALogP 1.95, HBA 4, HBD 2, PSA 66.38, QED 0.64
Compound (SMILES): Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(O)cc2)c1O
InChIKey: RFDATBVTFREXAW-REZTVBANSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 251.2 nM (pChEMBL 6.599999904632568)
Descriptors: MW 301.3, ALogP 1.06, HBA 6, HBD 4, PSA 115.04, QED 0.5
Compound (SMILES): Cc1cccc(-n2cnc(C(=O)N/N=C\c3ccc(Br)cc3)c2)n1
InChIKey: UDLPBLDQBHMFPO-UKWGHVSLSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 1778.3 nM (pChEMBL 5.75)
Descriptors: MW 384.24, ALogP 3.1, HBA 5, HBD 1, PSA 72.17, QED 0.56
Compound (SMILES): C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(S(N)(=O)=O)ccc21
InChIKey: MPGMDASLHPHLCY-SGEDCAFJSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 568.7, ALogP 3.02, HBA 7, HBD 1, PSA 131.9, QED 0.36
Compound (SMILES): C/C(=N\NC1=NCCN1)c1ccc(N)c([N+](=O)[O-])c1
InChIKey: LAQRLYGYWHSSGZ-VIZOYTHASA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 262.27, ALogP 0.45, HBA 7, HBD 3, PSA 117.94, QED 0.32
Compound (SMILES): CCOC(=O)C1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1
InChIKey: WHHGFGLZIMTGAT-ZPHPHTNESA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 100 nM (pChEMBL 7)
Descriptors: MW 431.95, ALogP 4.53, HBA 7, HBD 1, PSA 86.45, QED 0.41
Compound (SMILES): NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIKey: YOVABDCRZCCORI-BQYQJAHWSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 1000 nM (pChEMBL 6)
Descriptors: MW 335.19, ALogP 3.9, HBA 3, HBD 2, PSA 72.19, QED 0.64
Compound (SMILES): COc1cccc(/C=N/NC(=O)C(C)Cn2cnc3ccccc32)c1
InChIKey: UIHPZBZMBQRCPB-SRZZPIQSSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 336.4, ALogP 2.83, HBA 5, HBD 1, PSA 68.51, QED 0.56
Compound (SMILES): Cc1cccc(/C=N/NC(=O)Cn2nnnc2N)n1
InChIKey: PPWVCBCEIRQNFW-LFYBBSHMSA-N
Target: 4'-phosphopantetheinyl transferase ffp (SINGLE PROTEIN), Bacillus subtilis
UniProt: Q9F4F7
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 
Measurement: Potency = 56234.1 nM (pChEMBL 4.25)
Descriptors: MW 260.26, ALogP -0.89, HBA 8, HBD 2, PSA 123.97, QED 0.54
Compound (SMILES): COc1ccccc1/C=C/C=N/NC(=O)CC1C(=O)NN=C1C
InChIKey: YVDZCMHQQSSSJZ-VZGLCWHJSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 314.35, ALogP 1.32, HBA 5, HBD 2, PSA 92.15, QED 0.61
Compound (SMILES): Cc1cccc(/C=N/NC(=O)CNc2cccc3ccccc23)n1
InChIKey: QYFCTZDWWHQJOL-CIAFOILYSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 318.38, ALogP 3.11, HBA 4, HBD 2, PSA 66.38, QED 0.56
Compound (SMILES): Cc1c(NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2O)c(=O)n(-c2ccccc2)n1C
InChIKey: SNBQUQGFAGSHDO-RGVLZGJSSA-N
Target: Nonstructural protein 1 (SINGLE PROTEIN), Influenza A virus
UniProt: Q194T2
Assay: PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399]
Measurement: IC50  5142 nM (pChEMBL 5.289000034332275)
Descriptors: MW 426.46, ALogP 2.42, HBA 8, HBD 3, PSA 126.72, QED 0.25
Compound (SMILES): C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccco1
InChIKey: KWXHAMPTZJOYQQ-DJKKODMXSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 354.19, ALogP 3.72, HBA 4, HBD 2, PSA 83.7, QED 0.63
Compound (SMILES): Cc1cc(O)nc(N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)n1
InChIKey: PKTASKLCUSKCBA-GIJQJNRQSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 342.79, ALogP 3.08, HBA 7, HBD 2, PSA 88.22, QED 0.56
Compound (SMILES): Cn1c(/C=N/O)nc2ccccc21
InChIKey: STCMGNHRWNCRBV-UXBLZVDNSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 175.19, ALogP 1.38, HBA 4, HBD 1, PSA 50.41, QED 0.4
Compound (SMILES): O=C(O)Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21
InChIKey: WUFOGDSZFSPZPX-RQZCQDPDSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 375.41, ALogP 2.5, HBA 6, HBD 1, PSA 76.6, QED 0.53
Compound (SMILES): C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)COc1ccccc1C
InChIKey: QXKKCZWFMHHRLB-KGENOOAVSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 384.39, ALogP 2.8, HBA 6, HBD 2, PSA 122.93, QED 0.41
Compound (SMILES): Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(Br)s1
InChIKey: HRMQHUGYYPXLRI-VIZOYTHASA-N
Target: Thyroid hormone receptor beta (SINGLE PROTEIN), Homo sapiens
UniProt: P10828
Assay: PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 366.27, ALogP 3.34, HBA 7, HBD 1, PSA 55.96, QED 0.57
Compound (SMILES): O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1
InChIKey: UYXLZFYCFMBWSO-WSDLNYQXSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 427.25, ALogP 4.1, HBA 4, HBD 2, PSA 91.9, QED 0.46
Compound (SMILES): Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)[nH]n1
InChIKey: VMTPHNGYTUPSMF-AWNIVKPZSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 289.25, ALogP 1.1, HBA 6, HBD 3, PSA 133.51, QED 0.44
Compound (SMILES): COc1ccccc1N1CCN(/N=C/c2ccc([N+](=O)[O-])cc2)CC1
InChIKey: AIABCCLQLAWZCM-XMHGGMMESA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 340.38, ALogP 2.76, HBA 6, HBD 0, PSA 71.21, QED 0.48
Compound (SMILES): CC1=NNC(=O)C1CCC(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIKey: SYBGWTNYQSJREC-IDUWFGFVSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 631 nM (pChEMBL 6.199999809265137)
Descriptors: MW 341.2, ALogP 2.35, HBA 4, HBD 2, PSA 82.92, QED 0.64
Compound (SMILES): Cc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)S/C2=N\c2ccccc2)cc1
InChIKey: PVEGYBSRGYOIOD-FCQUAONHSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 422.53, ALogP 4.69, HBA 5, HBD 0, PSA 66.81, QED 0.61
Compound (SMILES): CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2ccco2)c1
InChIKey: AGGKTSDUSOKKDG-XNTDXEJSSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 352.44, ALogP 1.85, HBA 5, HBD 2, PSA 86.94, QED 0.49
Compound (SMILES): Cc1cccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIKey: WEAOIXXVZNSDMZ-YDZHTSKRSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 462, ALogP 4.05, HBA 5, HBD 1, PSA 78.84, QED 0.41
Compound (SMILES): CCCc1c(C)nn(C(=O)/C(C#N)=N/Nc2ccccc2[N+](=O)[O-])c1C
InChIKey: BAUWXBLOCHWLKQ-HMMYKYKNSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 354.37, ALogP 2.99, HBA 8, HBD 1, PSA 126.21, QED 0.48
Compound (SMILES): O=C(Cc1cccc2ccccc12)N/N=C/c1cccs1
InChIKey: CZMYZIQKPUVNON-LDADJPATSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 294.38, ALogP 3.59, HBA 3, HBD 1, PSA 41.46, QED 0.58
Compound (SMILES): Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/O)cc1
InChIKey: WIISXRJVRVHADW-XNTDXEJSSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 291.33, ALogP 2.57, HBA 5, HBD 1, PSA 75.96, QED 0.41
Compound (SMILES): CCC(/C=N/NC(=O)c1ccccc1F)CC
InChIKey: ZXYJCYBGAOGFFM-OQLLNIDSSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 236.29, ALogP 2.98, HBA 2, HBD 1, PSA 41.46, QED 0.62
Compound (SMILES): Cc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1
InChIKey: SNBBGQVXDNUNDG-LICLKQGHSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 794.3 nM (pChEMBL 6.099999904632568)
Descriptors: MW 295.37, ALogP 2.82, HBA 6, HBD 1, PSA 55.96, QED 0.6
Compound (SMILES): O=C(CCC(=O)N/N=C/c1ccccc1O)NCc1ccccc1
InChIKey: XOHJUOZUJUJCKX-DEDYPNTBSA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 325.37, ALogP 1.94, HBA 4, HBD 3, PSA 90.79, QED 0.54
Compound (SMILES): Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc2ncccc2c1
InChIKey: CPFCFQIAIRSHKJ-QRVIBDJDSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 1778.3 nM (pChEMBL 5.75)
Descriptors: MW 374.47, ALogP 4.47, HBA 5, HBD 1, PSA 59.28, QED 0.42
Compound (SMILES): O=[N+]([O-])c1cc2oc3c(c2c(/C=N/Cc2ccncc2)c1O)CCCC3
InChIKey: NARWFDHOCNXDML-SRZZPIQSSA-N
Target: Pyruvate kinase (SINGLE PROTEIN), Leishmania mexicana
UniProt: Q27686
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 351.36, ALogP 3.94, HBA 6, HBD 1, PSA 101.76, QED 0.44
Compound (SMILES): CC(=O)O.O=c1/c(=C/c2ccc(O)cc2)sc2n1CCCN=2
InChIKey: KOWTXFMVYUYQFR-MKFZHGHUSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 260.32, ALogP 0.47, HBA 5, HBD 1, PSA 54.59, QED 0.81
Compound (SMILES): C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)c(C)c1
InChIKey: PAEZYXGJYVZIDT-MTDXEUNCSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 394.48, ALogP 5.66, HBA 5, HBD 2, PSA 70.4, QED 0.34
Compound (SMILES): CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/CC/N=C/C2=C(O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)=C1O
InChIKey: RNJUUCXDIIMZGP-KXJQYHRCSA-N
Target: Inositol monophosphatase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97697
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 568.58, ALogP 5.62, HBA 10, HBD 2, PSA 144.06, QED 0.18
Compound (SMILES): CC(C)(C)c1ccc(O)c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1
InChIKey: LGYVNPCOVSZACQ-DJKKODMXSA-N
Target: Pyruvate kinase (SINGLE PROTEIN), Leishmania mexicana
UniProt: Q27686
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) 
Measurement: Potency = 1584.9 nM (pChEMBL 5.800000190734863)
Descriptors: MW 342.35, ALogP 4.08, HBA 6, HBD 1, PSA 94.19, QED 0.52
Compound (SMILES): COc1ccc(OC)c(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1
InChIKey: XFNFDTJYMBUVFN-WSDLNYQXSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 376.42, ALogP 2.96, HBA 5, HBD 2, PSA 88.6, QED 0.53
Compound (SMILES): CCO/C=N/c1c(C#N)c2c(c(=S)n1C)COC(C)(C)C2
InChIKey: FYOFPJRNQSSDQV-RQZCQDPDSA-N
Target: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 305.4, ALogP 3.17, HBA 6, HBD 0, PSA 59.54, QED 0.49
Compound (SMILES): Sc1nnc(C2CCCCC2)n1/N=C/C(Cl)=C\c1ccccc1
InChIKey: URVLMQHGANREAC-RRRJGDELSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 346.89, ALogP 4.73, HBA 5, HBD 1, PSA 43.07, QED 0.64
Compound (SMILES): O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccco1
InChIKey: OEPSQXHEMMARFD-LFIBNONCSA-N
Target: Thioredoxin glutathione reductase (SINGLE PROTEIN), Schistosoma mansoni
UniProt: Q962Y6
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 285.3, ALogP 2.15, HBA 4, HBD 2, PSA 83.7, QED 0.63