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BDBM50275709 CHEMBL520050::N-(2-aminophenyl)-6-(spiro[indoline-3,4'-piperidine]-1'-yl)nicotinamide

SMILES: Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1

InChI Key: InChIKey=MIMFQMSYGWSKSM-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50275709   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275709
PNG
(CHEMBL520050 | N-(2-aminophenyl)-6-(spiro[indoline...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1
Show InChI InChI=1S/C24H25N5O/c25-19-6-2-4-8-21(19)28-23(30)17-9-10-22(26-15-17)29-13-11-24(12-14-29)16-27-20-7-3-1-5-18(20)24/h1-10,15,27H,11-14,16,25H2,(H,28,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.85E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50275709
PNG
(CHEMBL520050 | N-(2-aminophenyl)-6-(spiro[indoline...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1
Show InChI InChI=1S/C24H25N5O/c25-19-6-2-4-8-21(19)28-23(30)17-9-10-22(26-15-17)29-13-11-24(12-14-29)16-27-20-7-3-1-5-18(20)24/h1-10,15,27H,11-14,16,25H2,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair