BDBM80050 4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxylic acid ethyl ester::4-[1-(2-Methyl-benzoyl)-piperidine-4-carbonyl]-piperazine-1-carboxylic acid ethyl ester::4-[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester::MLS001218739::SMR000612162::cid_3152307::ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate::ethyl 4-[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C

InChI Key InChIKey=TWYGQKIOVPITPN-UHFFFAOYSA-N

Data  4 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 80050   

TargetBeta-galactosidase(Escherichia coli)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80050(4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxyli...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
Affinity DataIC50: 6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80050(4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxyli...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
Affinity DataIC50: 6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80050(4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxyli...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
Affinity DataIC50: 6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80050(4-(1-o-toluoylisonipecotoyl)piperazine-1-carboxyli...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
Show InChI InChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
Affinity DataIC50: 2.44E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair