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SMILES: [C-]#[N+]c1[nH]nnc1-c1ccnc(c1)-c1cn(CCc2cccc3ccccc23)cn1

InChI Key: InChIKey=LGGXOVHLVHPAJC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 319597   
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
Sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM319597
PNG
(US20230270719, Compound 8)
Show SMILES [C-]#[N+]c1[nH]nnc1-c1ccnc(c1)-c1cn(CCc2cccc3ccccc23)cn1
Show InChI InChI=1S/C23H17N7/c1-24-23-22(27-29-28-23)18-9-11-25-20(13-18)21-14-30(15-26-21)12-10-17-7-4-6-16-5-2-3-8-19(16)17/h2-9,11,13-15H,10,12H2,(H,27,28,29)
PDB

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PC cid
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US Patent
n/an/an/an/a 72n/an/an/an/a



Celgene Quantical Research, Inc.

US Patent




US Patent US9714230 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8X9J
More data for this
Ligand-Target Pair