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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Solute carrier organic anion transporter family member 1B1' and Ligand = 'BDBM50030555'   
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))		BDBM50030555
PNG
(CHEMBL3344493 | US9566312, Compound 2.10)
Show SMILES [H][C@@]1([C@H](C)CC#N)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/C63H110N12O12/c1-25-27-28-40(14)52(76)51-56(80)67-44(26-2)59(83)69(18)43(17)58(82)74(23)50(39(13)29-30-64)55(79)68-48(37(9)10)62(86)70(19)45(31-34(3)4)54(78)65-41(15)53(77)66-42(16)57(81)71(20)46(32-35(5)6)60(84)72(21)47(33-36(7)8)61(85)73(22)49(38(11)12)63(87)75(51)24/h25,27,34-52,76H,26,28-29,31-33H2,1-24H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79)/b27-25+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
PDB

UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a 1.00E+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