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BDBM399652 US10323036, Compound I-96::US10793574, Compound I-96

SMILES: COc1c(Cl)cccc1Nc1cc(Nc2cc(C)nc(C)n2)nc2[nH]n(C)c(=O)c12

InChI Key: InChIKey=IFUXDWKDBGSRDM-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 = 399652   
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))		BDBM399652
PNG
(US10323036, Compound I-96 | US10793574, Compound I...)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cc(C)nc(C)n2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H20ClN7O2/c1-10-8-15(23-11(2)22-10)25-16-9-14(17-19(26-16)27-28(3)20(17)29)24-13-7-5-6-12(21)18(13)30-4/h5-9H,1-4H3,(H3,22,23,24,25,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/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))		BDBM399652
PNG
(US10323036, Compound I-96 | US10793574, Compound I...)
Show SMILES COc1c(Cl)cccc1Nc1cc(Nc2cc(C)nc(C)n2)nc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C20H20ClN7O2/c1-10-8-15(23-11(2)22-10)25-16-9-14(17-19(26-16)27-28(3)20(17)29)24-13-7-5-6-12(21)18(13)30-4/h5-9H,1-4H3,(H3,22,23,24,25,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/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