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BDBM87431 MLS000708697::N-(4-acetamidophenyl)-1-(2-thenoyl)isonipecotamide::N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide::N-(4-acetamidophenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide::N-(4-acetamidophenyl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide::SMR000289264::cid_1081265

SMILES: CC(=O)Nc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1

InChI Key: InChIKey=WYBHFUAXFSOQRU-UHFFFAOYSA-N

Data: 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 = 87431   
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
DCN1-UBC12


(Homo sapiens)
BDBM87431
PNG
(MLS000708697 | N-(4-acetamidophenyl)-1-(2-thenoyl)...)
Show SMILES CC(=O)Nc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H21N3O3S/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-8-10-22(11-9-14)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)(H,21,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>6.76E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87431
PNG
(MLS000708697 | N-(4-acetamidophenyl)-1-(2-thenoyl)...)
Show SMILES CC(=O)Nc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H21N3O3S/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-8-10-22(11-9-14)19(25)17-3-2-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,20,23)(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair