BDBM50139772 22-oxovincaleukoblastine::leurocristine::vincristine
SMILES: CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
InChI Key: InChIKey=OGWKCGZFUXNPDA-XQKSVPLYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio... | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen Curated by ChEMBL | Assay Description Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method | Eur J Med Chem 92: 723-31 (2015) Article DOI: 10.1016/j.ejmech.2015.01.011 BindingDB Entry DOI: 10.7270/Q2PV6N3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | 2.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells | Pharm Res 19: 765-72 (2002) BindingDB Entry DOI: 10.7270/Q2BZ67B1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | 8.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells | Pharm Res 19: 773-9 (2002) BindingDB Entry DOI: 10.7270/Q2765GMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Similar to alpha-tubulin isoform 1 (Bos taurus) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UPR 9023 CNRS Curated by ChEMBL | Assay Description In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation | J Med Chem 41: 1524-30 (1998) Article DOI: 10.1021/jm970800t BindingDB Entry DOI: 10.7270/Q2MW2KV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois Curated by ChEMBL | Assay Description Inhibition of HIV1 RT | J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio... | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen Curated by ChEMBL | Assay Description Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method | Eur J Med Chem 92: 723-31 (2015) Article DOI: 10.1016/j.ejmech.2015.01.011 BindingDB Entry DOI: 10.7270/Q2PV6N3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tubulin (Sus scrofa (Pig)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated in vitro for the mammalian brain tubulin polymerization using standard assay. | Bioorg Med Chem Lett 2: 1257-1262 (1992) Article DOI: 10.1016/S0960-894X(00)80225-5 BindingDB Entry DOI: 10.7270/Q25X29DB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cells | J Biol Chem 271: 9683-9 (1996) BindingDB Entry DOI: 10.7270/Q2PC33NH | |||||||||||
More data for this Ligand-Target Pair |