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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P21447   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ATP-dependent translocase ABCB1 bd-verapamil


(Mus musculus (Mouse))
BDBM227643
PNG
(Vinblastine)
Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
PDB

UniProtKB/SwissProt

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DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/a22.5



University of Washington



Assay Description
For the data shown, 25 nM BD-verapamil was added to various P-gp nanodisc concentrations in the presence of 1 μM empty nanodiscs, and 50 nM BD-v...


Biochemistry 56: 2506-2517 (2017)


Article DOI: 10.1021/acs.biochem.6b01245
BindingDB Entry DOI: 10.7270/Q20G3J1N
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1 bd-verapamil


(Mus musculus (Mouse))
BDBM81939
PNG
(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

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MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.73E+5n/an/an/an/an/a22.5



University of Washington



Assay Description
For the data shown, 25 nM BD-verapamil was added to various P-gp nanodisc concentrations in the presence of 1 μM empty nanodiscs, and 50 nM BD-v...


Biochemistry 56: 2506-2517 (2017)


Article DOI: 10.1021/acs.biochem.6b01245
BindingDB Entry DOI: 10.7270/Q20G3J1N
More data for this
Ligand-Target Pair