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Found 1 hit Enz. Inhib. hit(s) with Target = 'Solute carrier organic anion transporter family member 1B1' and Ligand = 'BDBM50030541'   
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
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))		BDBM50030541
PNG
(CHEMBL3344496 | US9566312, Compound 2.5.21)
Show SMILES [H][C@@]1([C@H](C)CN2CCCOCC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r|
Show InChI InChI=1S/C67H120N12O13/c1-25-27-29-43(13)56(80)55-60(84)70-48(26-2)63(87)72(18)47(17)62(86)77(23)54(44(14)37-79-30-28-32-92-33-31-79)59(83)71-52(41(9)10)66(90)73(19)49(34-38(3)4)58(82)68-45(15)57(81)69-46(16)61(85)74(20)50(35-39(5)6)64(88)75(21)51(36-40(7)8)65(89)76(22)53(42(11)12)67(91)78(55)24/h25,27,38-56,80H,26,28-37H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1
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Similars
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of OATP1B1 (unknown origin) expressed in CHO cells using 8-fluorescein-cAMP substrate by fluorescent photometry

J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair