BindingDB logo
myBDB logout

BDBM325171 9-(4-(3-hydroxyazetidine-1-carbonyl)benzyl)-2-(2-::US10189841, Compound I-377::US10399980, Compound I-377

SMILES: CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)N3CC(O)C3)c2n1

InChI Key: InChIKey=MGQBHVDXXAYHRH-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 2 hits for monomerid = 325171   
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))
BDBM325171
PNG
(9-(4-(3-hydroxyazetidine-1-carbonyl)benzyl)-2-(2- ...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)N3CC(O)C3)c2n1
Show InChI InChI=1S/C25H25N5O3/c1-15(2)19-5-3-4-6-20(19)22-26-11-21-23(28-22)30(25(33)27-21)12-16-7-9-17(10-8-16)24(32)29-13-18(31)14-29/h3-11,15,18,31H,12-14H2,1-2H3,(H,27,33)
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
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325171
PNG
(9-(4-(3-hydroxyazetidine-1-carbonyl)benzyl)-2-(2- ...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)N3CC(O)C3)c2n1
Show InChI InChI=1S/C25H25N5O3/c1-15(2)19-5-3-4-6-20(19)22-26-11-21-23(28-22)30(25(33)27-21)12-16-7-9-17(10-8-16)24(32)29-13-18(31)14-29/h3-11,15,18,31H,12-14H2,1-2H3,(H,27,33)
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