baicalin [Ligand Id: 13076] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL485818 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ABCC2/ATP-binding cassette sub-family C member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073676] [GtoPdb: 780] [UniProtKB: Q63120] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat | F | 5.1 | pKi | 7950 | nM | Ki | Drug Metabol Pharmacokin (2002) 17: 23-33 [PMID:15618649] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907602] [GtoPdb: 1961] [UniProtKB: P06493, P14635] | ||||||||
| ChEMBL | Inhibition of Cdk1/cyclin B | B | 4.84 | pIC50 | 14360 | nM | IC50 | Bioorg Med Chem (2008) 16: 7128-7133 [PMID:18639462] |
| GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419, 416, 404, 410, 414, 412, 408, 406, 405, 411, 407, 417, 409, 413, 415, 418] [UniProtKB: O00591, O14764, P14867, P18505, P18507, P28472, P31644, P34903, P47869, P47870, P48169, P78334, Q16445, Q8N1C3, Q99928, Q9UN88] | ||||||||
| ChEMBL | Binding affinity towards benzodiazepine site in GABAA receptor | B | 4.11 | pKi | 77624.71 | nM | Ki | J Med Chem (2001) 44: 1883-1891 [PMID:11384234] |
| Glyceraldehyde-3-phosphate dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2284] [UniProtKB: P04406] | ||||||||
| ChEMBL | Inhibition of human recombinant GADPH incubated for 30 mins by absorbance based assay | B | 4.39 | pIC50 | 40900 | nM | IC50 | Bioorg Med Chem (2023) 90: 117362-117362 [PMID:37320992] |
| lysine demethylase 1A/Lysine-specific histone demethylase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341] | ||||||||
| ChEMBL | Inhibition of LSD1 (unknown origin) | B | 5.45 | pIC50 | 3550 | nM | IC50 | Bioorg Med Chem (2019) 27: 370-374 [PMID:30552007] |
| ChEMBL | Inhibition of LSD1 (unknown origin) expressed in human MGC-803 cells incubated for 5 days by DAPI staining based immunofluorescence method | B | 5.52 | pIC50 | 3010 | nM | IC50 | RSC Med Chem (2020) 11: 969-981 [PMID:33479691] |
| ChEMBL | Inhibition of LSD1 (unknown origin) | B | 5.52 | pIC50 | 3010 | nM | IC50 | Eur J Med Chem (2021) 220: 113501-113501 [PMID:33945992] |
| ChEMBL | Inhibition of LSD1 (unknown origin) using H3K4me2 peptide as substrate | B | 5.52 | pIC50 | 3010 | nM | IC50 | J Med Chem (2021) 64: 2466-2488 [PMID:33619958] |
| prolyl endopeptidase/Prolyl endopeptidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3202] [GtoPdb: 2395] [UniProtKB: P48147] | ||||||||
| ChEMBL | Inhibition of human recombinant POP | B | 4.91 | pIC50 | 12300 | nM | IC50 | J Med Chem (2010) 53: 3423-3438 [PMID:20058865] |
| ChEMBL | Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli | B | 4.92 | pIC50 | 12000 | nM | IC50 | Bioorg Med Chem (2008) 16: 7516-7524 [PMID:18650094] |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by ESI-MS assay | B | 4.91 | pKd | 12400 | nM | Kd | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| ChEMBL | Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry assay | B | 4.94 | pKd | 11500 | nM | Kd | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| ChEMBL | Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) by ITC analysis | B | 4.94 | pKd | 11500 | nM | Kd | Eur J Med Chem (2023) 258: 115629-115629 [PMID:37437351] |
| ChEMBL | Binding affinity to SARS-CoV-2 MPro assessed as dissociation constant by FRET analysis | B | 4.94 | pKd | 11500 | nM | Kd | Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195] |
| ChEMBL | Inhibition of C-terminal 6xHis-tagged recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) using Thr-Ser-Ala-Val-Leu-Gln-pNA as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by absorbance based assay | B | 4.08 | pIC50 | 83400 | nM | IC50 | Eur J Med Chem (2023) 258: 115629-115629 [PMID:37437351] |
| ChEMBL | Inhibition of SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using DABCYL-KTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr followed by substrate addition measured after 2.5 hrs by FRET assay | B | 4.46 | pIC50 | 34700 | nM | IC50 | Eur J Med Chem (2023) 258: 115629-115629 [PMID:37437351] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 5.19 | pIC50 | 6412.1 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition measured for 3.5 mins by FRET assay | B | 5.19 | pIC50 | 6410 | nM | IC50 | Eur J Med Chem (2023) 258: 115629-115629 [PMID:37437351] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro | B | 5.19 | pIC50 | 6410 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by FRET assay | B | 5.19 | pIC50 | 6410 | nM | IC50 | Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195] |
| ChEMBL | Inhibition of SARS-CoV-2 (BetaCoV/Wuhan/WIV04/2019) MPro expressed in Escherichia coli using FRET susbtrate measured after 1 hr | B | 5.19 | pIC50 | 6410 | nM | IC50 | Bioorg Med Chem (2021) 29: 115860-115860 [PMID:33191083] |
| ChEMBL | Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH as substrate incubated for 10 mins by FRET assay | B | 5.19 | pIC50 | 6410 | nM | IC50 | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| ChEMBL | Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells measured after 48 hrs by qRT-PCR analysis | B | 4.99 | pEC50 | 10270 | nM | EC50 | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
| polo like kinase 1/Serine/threonine-protein kinase PLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3024] [GtoPdb: 2168] [UniProtKB: P53350] | ||||||||
| ChEMBL | Inhibition of PLK1 T210D mutant kinase domain (unknown origin) using casein as substrate preincubated for 3 hrs followed by substrate addition and measured after 30 mins in the presence of ATP by ADP-Glo kinase assay | B | 5.44 | pIC50 | 3610 | nM | IC50 | J Med Chem (2022) 65: 10133-10160 [PMID:35878418] |
| xanthine dehydrogenase/Xanthine dehydrogenase/oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
| ChEMBL | Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotometry | B | 4.26 | pIC50 | 55580 | nM | IC50 | Eur J Med Chem (2023) 258: 115629-115629 [PMID:37437351] |
| cyclic GMP-AMP synthase in Human [GtoPdb: 3165] [UniProtKB: Q8N884] | ||||||||
| GtoPdb | - | - | 5.4 | pIC50 | 3970 | nM | IC50 | Bioorg Chem (2023) 140: 106802 [PMID:37666112] |
| cyclic GMP-AMP synthase in Mouse [GtoPdb: 3165] [UniProtKB: Q8C6L5] | ||||||||
| GtoPdb | - | - | 4.96 | pIC50 | 10840 | nM | IC50 | Bioorg Chem (2023) 140: 106802 [PMID:37666112] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
