Found 8 hits for monomerid = 50579389 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-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 0.5 uM pre-incubated for 4 hrs followed b... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 1 uM pre-incubated for 4 hrs followed by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 2 uM pre-incubated for 4 hrs followed by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant CYP3A4 by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in colchicine IC50 at 1 uM pre-incubated for 4 hrs followed by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in colchicine IC50 at 2 uM pre-incubated for 4 hrs followed by ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human P-gp ATPase activity incubated for 60 mins by luminescence based Glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50579389
(CHEMBL4876875)Show SMILES COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.21E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in colchicine IC50 at 0.5 uM pre-incubated for 4 hrs followed b... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01452
BindingDB Entry DOI: 10.7270/Q2D50RSG |
More data for this
Ligand-Target Pair | |
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