BindingDB logo
myBDB logout

BDBM50390986 CHEMBL2074710

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCC(OC(=O)[C@H](CCCCN)N(C)C)N2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C

InChI Key: InChIKey=IGVRGOCYNAYKPD-GWAKNMNKSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50390986   
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
Canalicular multispecific organic anion transporter 1


(Rattus norvegicus)		BDBM50390986
PNG
(CHEMBL2074710)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCC(OC(=O)[C@H](CCCCN)N(C)C)N2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C39H58N8O9/c1-21(2)17-26-34(50)42-27(18-23-20-41-25-12-8-7-11-24(23)25)35(51)44-28(19-32(48)49)38(54)47-29(36(52)45-33(22(3)4)37(53)43-26)14-15-31(47)56-39(55)30(46(5)6)13-9-10-16-40/h7-8,11-12,20-22,26-31,33,41H,9-10,13-19,40H2,1-6H3,(H,42,50)(H,43,53)(H,44,51)(H,45,52)(H,48,49)/t26-,27+,28+,29-,30-,31?,33+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 8.54E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat

J Pharmacol Exp Ther 288: 575-81 (1999)


BindingDB Entry DOI: 10.7270/Q24T6KF8
More data for this
Ligand-Target Pair