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BDBM76222 MLS001072174::N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-piperidinecarboxamide::N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]isonipecotamide::N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidine-4-carboxamide::N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide::SMR000654370::cid_24816640

SMILES: CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C

InChI Key: InChIKey=SJZBCPCCKCUITD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 76222   
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
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76222
PNG
(MLS001072174 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H31ClN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76222
PNG
(MLS001072174 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H31ClN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
PDB

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Article
PCBioAssay
n/an/a 1.87E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM76222
PNG
(MLS001072174 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H31ClN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
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UniChem

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PCBioAssay
n/an/a 4.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM76222
PNG
(MLS001072174 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H31ClN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair