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BDBM325036 2-(2-isopropylphenyl)-7-methyl-9-(3-(pyridin-2-::US10189841, Compound I-242::US10399980, Compound I-242

SMILES: CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCc4ccccn4)c3)c2n1

InChI Key: InChIKey=QZXAXCFKGIFZJS-UHFFFAOYSA-N

Data: 2 IC50

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 3 hits for monomerid = 325036   
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
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325036
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(3-(pyridin-2- | ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCc4ccccn4)c3)c2n1
Show InChI InChI=1S/C28H27N5O2/c1-19(2)23-12-4-5-13-24(23)26-30-16-25-27(31-26)33(28(34)32(25)3)17-20-9-8-11-22(15-20)35-18-21-10-6-7-14-29-21/h4-16,19H,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.00200n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...


US Patent US10189841 (2019)


BindingDB Entry DOI: 10.7270/Q22R3TRR
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325036
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(3-(pyridin-2- | ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCc4ccccn4)c3)c2n1
Show InChI InChI=1S/C28H27N5O2/c1-19(2)23-12-4-5-13-24(23)26-30-16-25-27(31-26)33(28(34)32(25)3)17-20-9-8-11-22(15-20)35-18-21-10-6-7-14-29-21/h4-16,19H,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325036
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(3-(pyridin-2- | ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCc4ccccn4)c3)c2n1
Show InChI InChI=1S/C28H27N5O2/c1-19(2)23-12-4-5-13-24(23)26-30-16-25-27(31-26)33(28(34)32(25)3)17-20-9-8-11-22(15-20)35-18-21-10-6-7-14-29-21/h4-16,19H,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+3n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...


US Patent US10399980 (2019)


BindingDB Entry DOI: 10.7270/Q23J3GCX
More data for this
Ligand-Target Pair