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PubMed code 9751076

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50390981
PNG
(CHEMBL2074597)
Show SMILES COC(=O)[C@H]1[C@H](CCC2CN3CCc4c([nH]c5ccccc45)C3CC12)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H36N2O7/c1-36-25-13-18(14-26(37-2)29(25)38-3)30(34)40-24-10-9-17-16-33-12-11-20-19-7-5-6-8-22(19)32-28(20)23(33)15-21(17)27(24)31(35)39-4/h5-8,13-14,17,21,23-24,27,32H,9-12,15-16H2,1-4H3/t17?,21?,23?,24-,27+/m0/s1
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PC cid
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PubMed
2.10E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in membranes from CEM/VLB100 cells


Biochem Pharmacol 56: 719-27 (1998)


BindingDB Entry DOI: 10.7270/Q28K7B50
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
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 |r,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-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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MCE
MMDB
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PC sid
PDB
UniChem

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Similars

PubMed
2.10E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in membranes from CEM/VLB100 cells


Biochem Pharmacol 56: 719-27 (1998)


BindingDB Entry DOI: 10.7270/Q28K7B50
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%