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BDBM399590 US10323036, Compound I-34::US10793574, Compound I-34

SMILES: COc1c(Nc2cc(Nc3ccc(C)cn3)nc3[nH]n(C)c(=O)c23)cccc1C#N

InChI Key: InChIKey=PFKSOYFHWCEQLB-UHFFFAOYSA-N

Data: 2 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 399590   
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
TYK2 JH2 Domain (aa 556-888)


(Homo sapiens (Human))		BDBM399590
PNG
(US10323036, Compound I-34 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)cn3)nc3[nH]n(C)c(=O)c23)cccc1C#N
Show InChI InChI=1S/C21H19N7O2/c1-12-7-8-16(23-11-12)25-17-9-15(18-20(26-17)27-28(2)21(18)29)24-14-6-4-5-13(10-22)19(14)30-3/h4-9,11H,1-3H3,(H3,23,24,25,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a>10n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

US Patent US10793574 (2020)

More data for this
Ligand-Target Pair
JH2 domain (V731I)


(Homo sapiens (Human))		BDBM399590
PNG
(US10323036, Compound I-34 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccc(C)cn3)nc3[nH]n(C)c(=O)c23)cccc1C#N
Show InChI InChI=1S/C21H19N7O2/c1-12-7-8-16(23-11-12)25-17-9-15(18-20(26-17)27-28(2)21(18)29)24-14-6-4-5-13(10-22)19(14)30-3/h4-9,11H,1-3H3,(H3,23,24,25,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a>10n/an/an/an/an/a



Novartis Institute for Tropical Diseases



Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

Anal Biochem 395: 195-204 (2009)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair