Found 4 hits for monomerid = 50532707 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 |
|---|
ATP-binding cassette sub-family G member 2
(Homo sapiens (Human)) | BDBM50532707
(CHEMBL4585968)Show SMILES COc1nonc1OCCOc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C29H31N3O6/c1-33-26-16-23-12-13-32(19-24(23)17-27(26)34-2)18-20-4-6-21(7-5-20)22-8-10-25(11-9-22)36-14-15-37-29-28(35-3)30-38-31-29/h4-11,16-17H,12-15,18-19H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
Multidrug resistance protein 1/Multidrug resistance associated protein 1
(Homo sapiens (Human)) | BDBM50532707
(CHEMBL4585968)Show SMILES COc1nonc1OCCOc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C29H31N3O6/c1-33-26-16-23-12-13-32(19-24(23)17-27(26)34-2)18-20-4-6-21(7-5-20)22-8-10-25(11-9-22)36-14-15-37-29-28(35-3)30-38-31-29/h4-11,16-17H,12-15,18-19H2,1-3H3 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family G member 2
(Homo sapiens (Human)) | BDBM50532707
(CHEMBL4585968)Show SMILES COc1nonc1OCCOc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C29H31N3O6/c1-33-26-16-23-12-13-32(19-24(23)17-27(26)34-2)18-20-4-6-21(7-5-20)22-8-10-25(11-9-22)36-14-15-37-29-28(35-3)30-38-31-29/h4-11,16-17H,12-15,18-19H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of BCRP (unknown origin) |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
Multidrug resistance protein 1/Multidrug resistance associated protein 1
(Homo sapiens (Human)) | BDBM50532707
(CHEMBL4585968)Show SMILES COc1nonc1OCCOc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C29H31N3O6/c1-33-26-16-23-12-13-32(19-24(23)17-27(26)34-2)18-20-4-6-21(7-5-20)22-8-10-25(11-9-22)36-14-15-37-29-28(35-3)30-38-31-29/h4-11,16-17H,12-15,18-19H2,1-3H3 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino Via P. Giuria 9
Curated by ChEMBL
| Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay |
J Med Chem 59: 6729-38 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00252 |
More data for this
Ligand-Target Pair | |
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