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BDBM50420235 BARNIDIPINE

SMILES: COC(=O)C1C(C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=XHEATHCDTLUVIM-BJYSPHJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420235   
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
P-glycoprotein 1


(Homo sapiens (Human))		BDBM50420235
PNG
(BARNIDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:26,t:23|
Show InChI InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22-23,25H,12-13,15-16H2,1-3H3/t22-,23?,25?/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells

Pharm Res 17: 1189-97 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2WSR
More data for this
Ligand-Target Pair