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SMILES: O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnc2[nH]ccc12

InChI Key: InChIKey=CRINRUDDKSBHIM-IBGZPJMESA-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 = 445160   
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 isozyme L1


(Homo sapiens (Human))
BDBM445160
PNG
((S)-2-(4-(1H-pyrrolo[2,3-b]- pyridin-4-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19N5O/c22-13-25-11-2-5-19(25)21(27)26-12-8-16-14(3-1-4-18(16)26)15-6-9-23-20-17(15)7-10-24-20/h1,3-4,6-7,9-10,19H,2,5,8,11-12H2,(H,23,24)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445160
PNG
((S)-2-(4-(1H-pyrrolo[2,3-b]- pyridin-4-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19N5O/c22-13-25-11-2-5-19(25)21(27)26-12-8-16-14(3-1-4-18(16)26)15-6-9-23-20-17(15)7-10-24-20/h1,3-4,6-7,9-10,19H,2,5,8,11-12H2,(H,23,24)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair