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Found 1 hit Enz. Inhib. hit(s) with Target = 'Solute carrier organic anion transporter family member 1B1' and Ligand = 'BDBM50542678'   
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))		BDBM50542678
PNG
(CHEMBL4636474)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCc3cn(nn3)-c3cc4ccc(O)cc4oc3=O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C64H79N13O16/c1-34(27-35(2)51(91-8)29-40-13-10-9-11-14-40)16-23-46-36(3)55(80)71-48(61(86)87)24-25-53(79)76(7)39(6)58(83)68-38(5)57(82)72-49(60(85)73-54(62(88)89)37(4)56(81)70-47(59(84)69-46)15-12-26-67-64(65)66)28-41-17-21-45(22-18-41)92-33-43-32-77(75-74-43)50-30-42-19-20-44(78)31-52(42)93-63(50)90/h9-11,13-14,16-23,27,30-32,35-38,46-49,51,54,78H,6,12,15,24-26,28-29,33H2,1-5,7-8H3,(H,68,83)(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,85)(H,86,87)(H,88,89)(H4,65,66,67)/b23-16+,34-27+/t35-,36-,37-,38+,46-,47-,48+,49-,51-,54+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70n/an/an/an/a



University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay

J Nat Prod 83: 1960-1970 (2020)


Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4
More data for this
Ligand-Target Pair