BindingDB logo
myBDB logout

null

SMILES: COc1c(Nc2cc(Nc3cc(ccn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1

InChI Key: InChIKey=VDPIEFNOSUIHHD-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 399588   
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
Non-receptor tyrosine-protein kinase TYK2 [556-888]


(Homo sapiens (Human))		BDBM399588
PNG
(US10323036, Compound I-32 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cc(ccn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19N11O2/c1-32-22(34)18-15(10-17(27-21(18)29-32)26-16-9-12(11-23)7-8-24-16)25-14-6-4-5-13(19(14)35-3)20-28-31-33(2)30-20/h4-10H,1-3H3,(H3,24,25,26,27,29)
PDB

UniProtKB/SwissProt

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)


BindingDB Entry DOI: 10.7270/Q2WM1HH6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [V731I]


(Homo sapiens (Human))		BDBM399588
PNG
(US10323036, Compound I-32 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3cc(ccn3)C#N)nc3[nH]n(C)c(=O)c23)cccc1-c1nnn(C)n1
Show InChI InChI=1S/C22H19N11O2/c1-32-22(34)18-15(10-17(27-21(18)29-32)26-16-9-12(11-23)7-8-24-16)25-14-6-4-5-13(19(14)35-3)20-28-31-33(2)30-20/h4-10H,1-3H3,(H3,24,25,26,27,29)
PDB

UniProtKB/SwissProt

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