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BDBM325301 US10189841, Compound I-507::US10399980, Compound I-507

SMILES: CCn1c2cnc(nc2n(Cc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)c1=O)-c1cccnc1C(C)C

InChI Key: InChIKey=YQVLGKWRSLWLPE-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 = 325301   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325301
PNG
(US10189841, Compound I-507 | US10399980, Compound ...)
Show SMILES CCn1c2cnc(nc2n(Cc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)c1=O)-c1cccnc1C(C)C
Show InChI InChI=1S/C27H26F3N7O/c1-5-36-20-13-32-23(19-7-6-12-31-22(19)16(2)3)34-25(20)37(26(36)38)14-17-8-10-18(11-9-17)24-33-21(15-35(24)4)27(28,29)30/h6-13,15-16H,5,14H2,1-4H3
PDB

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UniProtKB/SwissProt

GoogleScholar
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))
BDBM325301
PNG
(US10189841, Compound I-507 | US10399980, Compound ...)
Show SMILES CCn1c2cnc(nc2n(Cc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)c1=O)-c1cccnc1C(C)C
Show InChI InChI=1S/C27H26F3N7O/c1-5-36-20-13-32-23(19-7-6-12-31-22(19)16(2)3)34-25(20)37(26(36)38)14-17-8-10-18(11-9-17)24-33-21(15-35(24)4)27(28,29)30/h6-13,15-16H,5,14H2,1-4H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
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