Found 13 hits with Last Name = 'zuo' and Initial = 'jh' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50579388
(CHEMBL4877510)Show SMILES CCn1c(c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc12)-c1ccccc1 |(17.6,-27.88,;16.07,-27.72,;15.17,-28.96,;15.64,-30.43,;14.4,-31.33,;14.4,-32.87,;15.75,-33.65,;15.74,-35.21,;14.4,-35.98,;13.06,-35.2,;11.73,-35.97,;10.39,-35.2,;9.06,-35.97,;7.73,-35.2,;10.4,-33.65,;9.06,-32.88,;7.73,-33.65,;6.39,-32.88,;5.06,-33.65,;3.73,-32.88,;3.73,-31.34,;2.41,-30.58,;1.07,-31.34,;1.07,-32.88,;2.4,-33.66,;11.72,-32.88,;13.06,-33.65,;13.15,-30.43,;11.65,-30.74,;10.61,-29.6,;11.09,-28.12,;12.61,-27.81,;13.64,-28.96,;17.11,-30.9,;17.42,-32.41,;18.88,-32.89,;20.03,-31.86,;19.7,-30.34,;18.24,-29.87,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of EGFR L858R mutant (unknown origin) |
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)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | 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 | 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 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 5.70E+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 | 1.22E+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)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.02E+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 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 | 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 | 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 | 1.01E+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)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.68E+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 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 | 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 |
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Ligand-Target Pair | |
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