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SMILES: Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1

InChI Key: InChIKey=GQHHMHXXDJBGFA-ZEQRLZLVSA-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 4 hits for monomerid = 96868   
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
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM96868
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclop...)
Show SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C27H33ClN4O3/c28-22-11-4-3-8-20(22)13-15-30-26(34)24-12-6-16-32(24)27(35)23(17-19-7-5-14-29-18-19)31-25(33)21-9-1-2-10-21/h3-5,7-8,11,14,18,21,23-24H,1-2,6,9-10,12-13,15-17H2,(H,30,34)(H,31,33)/t23-,24-/m0/s1
UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM96868
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclop...)
Show SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C27H33ClN4O3/c28-22-11-4-3-8-20(22)13-15-30-26(34)24-12-6-16-32(24)27(35)23(17-19-7-5-14-29-18-19)31-25(33)21-9-1-2-10-21/h3-5,7-8,11,14,18,21,23-24H,1-2,6,9-10,12-13,15-17H2,(H,30,34)(H,31,33)/t23-,24-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96868
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclop...)
Show SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C27H33ClN4O3/c28-22-11-4-3-8-20(22)13-15-30-26(34)24-12-6-16-32(24)27(35)23(17-19-7-5-14-29-18-19)31-25(33)21-9-1-2-10-21/h3-5,7-8,11,14,18,21,23-24H,1-2,6,9-10,12-13,15-17H2,(H,30,34)(H,31,33)/t23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 2.91E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96868
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclop...)
Show SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C27H33ClN4O3/c28-22-11-4-3-8-20(22)13-15-30-26(34)24-12-6-16-32(24)27(35)23(17-19-7-5-14-29-18-19)31-25(33)21-9-1-2-10-21/h3-5,7-8,11,14,18,21,23-24H,1-2,6,9-10,12-13,15-17H2,(H,30,34)(H,31,33)/t23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair