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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM172717'   
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))		BDBM172717
PNG
(US9090657, 24)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC(=O)C2CCCN(N2)C(=O)[C@H](Cc2cc(O)cc(F)c2)NC1=O)C(\C)=C\C=C\C(=O)N1CCCCO1 |r,t:19,21|
Show InChI InChI=1S/C45H62FN5O11/c1-27(2)40-43(58)47-36(25-31-23-32(46)26-33(53)24-31)44(59)50-20-12-14-35(49-50)45(60)62-38(28(3)13-11-17-39(55)51-21-9-10-22-61-51)16-8-6-7-15-37(54)30(5)41(56)34(42(57)48-40)19-18-29(4)52/h6-8,11,13,15,17,23-24,26-27,30,34-38,40-41,49,53-54,56H,9-10,12,14,16,18-22,25H2,1-5H3,(H,47,58)(H,48,57)/b8-6+,15-7+,17-11+,28-13+/t30-,34+,35?,36-,37-,38-,40-,41+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.437



NEUROVIVE PHARMACEUTICAL AB

US Patent


Assay Description
To assess the inhibition of the P-glycoprotein (Pgp/MDR1) transporter, an in vitro ATPase assay from Cyprotex was used. MDR1MDCK cells obtained from ...

US Patent US9090657 (2015)


BindingDB Entry DOI: 10.7270/Q22Z148H
More data for this
Ligand-Target Pair