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SMILES: CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-c3nc(Cl)cn3C)c2n1

InChI Key: InChIKey=LCLRPLNEJHBDBM-UHFFFAOYSA-N

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 2 hits for monomerid = 324992   
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))
BDBM324992
PNG
(9-(4-(4-chloro-1-methyl- | US10189841, Compound I-...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-c3nc(Cl)cn3C)c2n1
Show InChI InChI=1S/C25H23ClN6O/c1-15(2)18-6-4-5-7-19(18)22-27-12-20-24(30-22)32(25(33)28-20)13-16-8-10-17(11-9-16)23-29-21(26)14-31(23)3/h4-12,14-15H,13H2,1-3H3,(H,28,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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))
BDBM324992
PNG
(9-(4-(4-chloro-1-methyl- | US10189841, Compound I-...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-c3nc(Cl)cn3C)c2n1
Show InChI InChI=1S/C25H23ClN6O/c1-15(2)18-6-4-5-7-19(18)22-27-12-20-24(30-22)32(25(33)28-20)13-16-8-10-17(11-9-16)23-29-21(26)14-31(23)3/h4-12,14-15H,13H2,1-3H3,(H,28,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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