BDBM58924 (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid::(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid::(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid::(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid::Fusidic acid::MLS001332649::SMR000857101::cid_3000226
SMILES: [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
InChI Key: InChIKey=IECPWNUMDGFDKC-MZJAQBGESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bile salt export pump (Rattus norvegicus) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Deutsches Krebsforschungszentrum Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in canalicular membrane vesicles of rat liver | Biochem Pharmacol 64: 151-8 (2002) Article DOI: 10.1016/s0006-2952(02)01015-8 BindingDB Entry DOI: 10.7270/Q2VM4G4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Deutsches Krebsforschungszentrum Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LTC4 uptake in canalicular membrane vesicles of rat liver | Biochem Pharmacol 64: 151-8 (2002) Article DOI: 10.1016/s0006-2952(02)01015-8 BindingDB Entry DOI: 10.7270/Q2VM4G4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Deutsches Krebsforschungszentrum Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in canalicular membrane vesicles of rat liver | Biochem Pharmacol 64: 151-8 (2002) Article DOI: 10.1016/s0006-2952(02)01015-8 BindingDB Entry DOI: 10.7270/Q2VM4G4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Deutsches Krebsforschungszentrum Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LTC4 uptake in Mrp2-expressing HEK cells | Biochem Pharmacol 64: 151-8 (2002) Article DOI: 10.1016/s0006-2952(02)01015-8 BindingDB Entry DOI: 10.7270/Q2VM4G4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB 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 | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB 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 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 | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.01E+4 | 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 | |||||||||||||
Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma) | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Rattus norvegicus) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 362 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM58924 ((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB 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 |