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BDBM87519 1-(cyclopentanecarbonyl)-N-[4-[2-[4-[methyl(2-phenylethyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide::1-(cyclopentanecarbonyl)-N-[4-[2-keto-2-[4-[methyl(phenethyl)carbamoyl]anilino]ethyl]phenyl]isonipecotamide::1-[cyclopentyl(oxo)methyl]-N-[4-[2-[4-[[methyl(2-phenylethyl)amino]-oxomethyl]anilino]-2-oxoethyl]phenyl]-4-piperidinecarboxamide::1-cyclopentylcarbonyl-N-[4-[2-[[4-[methyl(2-phenylethyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]phenyl]piperidine-4-carboxamide::MLS002698627::SMR001562753::cid_44825536

SMILES: CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)cc2)cc1

InChI Key: InChIKey=BRGBOWSGAPUBAY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87519   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM87519
PNG
(1-(cyclopentanecarbonyl)-N-[4-[2-[4-[methyl(2-phen...)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(CC3)C(=O)C3CCCC3)cc2)cc1
Show InChI InChI=1S/C36H42N4O4/c1-39(22-19-26-7-3-2-4-8-26)35(43)30-13-17-31(18-14-30)37-33(41)25-27-11-15-32(16-12-27)38-34(42)28-20-23-40(24-21-28)36(44)29-9-5-6-10-29/h2-4,7-8,11-18,28-29H,5-6,9-10,19-25H2,1H3,(H,37,41)(H,38,42)
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Similars
PCBioAssay
n/an/a 1.38E+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