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BDBM325079 2-(2-isopropylphenyl)-7-methyl-9-(4-(1-methyl-1H-::US10189841, Compound I-285::US10189841, Compound I-298::US10399980, Compound I-285

SMILES: CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3cnnn3C)c2n1

InChI Key: InChIKey=KEYQNLYNEOYIKI-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 325079   
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))
BDBM325079
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(4-(1-methyl-1H- ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3cnnn3C)c2n1
Show InChI InChI=1S/C25H25N7O/c1-16(2)19-7-5-6-8-20(19)23-26-13-22-24(28-23)32(25(33)30(22)3)15-17-9-11-18(12-10-17)21-14-27-29-31(21)4/h5-14,16H,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<200n/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))
BDBM325079
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(4-(1-methyl-1H- ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3cnnn3C)c2n1
Show InChI InChI=1S/C25H25N7O/c1-16(2)19-7-5-6-8-20(19)23-26-13-22-24(28-23)32(25(33)30(22)3)15-17-9-11-18(12-10-17)21-14-27-29-31(21)4/h5-14,16H,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.10E+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))
BDBM325079
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(4-(1-methyl-1H- ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3cnnn3C)c2n1
Show InChI InChI=1S/C25H25N7O/c1-16(2)19-7-5-6-8-20(19)23-26-13-22-24(28-23)32(25(33)30(22)3)15-17-9-11-18(12-10-17)21-14-27-29-31(21)4/h5-14,16H,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+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
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325079
PNG
(2-(2-isopropylphenyl)-7-methyl-9-(4-(1-methyl-1H- ...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3cnnn3C)c2n1
Show InChI InChI=1S/C25H25N7O/c1-16(2)19-7-5-6-8-20(19)23-26-13-22-24(28-23)32(25(33)30(22)3)15-17-9-11-18(12-10-17)21-14-27-29-31(21)4/h5-14,16H,15H2,1-4H3
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