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BDBM399629 US10323036, Compound I-73::US10793574, Compound I-73

SMILES: COc1c(F)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc2[nH]n(C)c(=O)c12

InChI Key: InChIKey=VRIIJFSSTLCFKE-UHFFFAOYSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 399629   
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))		BDBM399629
PNG
(US10323036, Compound I-73 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H18F2N6O2/c1-10-7-15(23-9-12(10)22)25-16-8-14(17-19(26-16)27-28(2)20(17)29)24-13-6-4-5-11(21)18(13)30-3/h4-9H,1-3H3,(H3,23,24,25,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/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))		BDBM399629
PNG
(US10323036, Compound I-73 | US10793574, Compound I...)
Show SMILES COc1c(F)cccc1Nc1cc(Nc2cc(C)c(F)cn2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H18F2N6O2/c1-10-7-15(23-9-12(10)22)25-16-8-14(17-19(26-16)27-28(2)20(17)29)24-13-6-4-5-11(21)18(13)30-3/h4-9H,1-3H3,(H3,23,24,25,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.5n/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