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BDBM325287 2-(2-isopropylphenyl)-7-methyl-9-((1-(pyrimidin-2-::US10189841, Compound I-493::US10399980, Compound I-493

SMILES: CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)c3ncccn3)c2n1

InChI Key: InChIKey=ILWYHNJILKTEJD-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 = 325287   
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))
BDBM325287
PNG
(2-(2-isopropylphenyl)-7-methyl-9-((1-(pyrimidin-2-...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)c3ncccn3)c2n1
Show InChI InChI=1S/C25H29N7O/c1-17(2)19-7-4-5-8-20(19)22-28-15-21-23(29-22)32(25(33)30(21)3)16-18-9-13-31(14-10-18)24-26-11-6-12-27-24/h4-8,11-12,15,17-18H,9-10,13-14,16H2,1-3H3
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))
BDBM325287
PNG
(2-(2-isopropylphenyl)-7-methyl-9-((1-(pyrimidin-2-...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)c3ncccn3)c2n1
Show InChI InChI=1S/C25H29N7O/c1-17(2)19-7-4-5-8-20(19)22-28-15-21-23(29-22)32(25(33)30(21)3)16-18-9-13-31(14-10-18)24-26-11-6-12-27-24/h4-8,11-12,15,17-18H,9-10,13-14,16H2,1-3H3
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))
BDBM325287
PNG
(2-(2-isopropylphenyl)-7-methyl-9-((1-(pyrimidin-2-...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)c3ncccn3)c2n1
Show InChI InChI=1S/C25H29N7O/c1-17(2)19-7-4-5-8-20(19)22-28-15-21-23(29-22)32(25(33)30(21)3)16-18-9-13-31(14-10-18)24-26-11-6-12-27-24/h4-8,11-12,15,17-18H,9-10,13-14,16H2,1-3H3
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