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PubMed code 28301155

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))
BDBM50265388
PNG
(CHEMBL4097071)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccnc4NCc4ccncc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C31H33N5O3/c1-38-28-18-24-12-17-36(21-25(24)19-29(28)39-2)16-11-22-5-7-26(8-6-22)35-31(37)27-4-3-13-33-30(27)34-20-23-9-14-32-15-10-23/h3-10,13-15,18-19H,11-12,16-17,20-21H2,1-2H3,(H,33,34)(H,35,37)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring compound concentration required ...


J Med Chem 60: 2930-2943 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01879
BindingDB Entry DOI: 10.7270/Q2CR5WT1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50265387
PNG
(CHEMBL4099415)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1cccnc1NCc1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(26-18-3-5-19(6-4-18)27-12-14-29-15-13-27)20-2-1-9-24-21(20)25-16-17-7-10-23-11-8-17/h1-11H,12-16H2,(H,24,25)(H,26,28)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 329n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring compound concentration required ...


J Med Chem 60: 2930-2943 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01879
BindingDB Entry DOI: 10.7270/Q2CR5WT1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%