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BDBM76210 1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidinecarboxamide::1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide::1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide::MLS001083078::N-[3-(3-fluorophenyl)phenyl]-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]isonipecotamide::SMR000658475::cid_24790586

SMILES: CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C

InChI Key: InChIKey=QYVJNOLAQFWVNH-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 = 76210   
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 (Human))
BDBM76210
PNG
(1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]...)
Show SMILES CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C27H33FN4O/c1-18(2)32-20(4)26(19(3)30-32)17-31-13-11-21(12-14-31)27(33)29-25-10-6-8-23(16-25)22-7-5-9-24(28)15-22/h5-10,15-16,18,21H,11-14,17H2,1-4H3,(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.20E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76210
PNG
(1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]...)
Show SMILES CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C27H33FN4O/c1-18(2)32-20(4)26(19(3)30-32)17-31-13-11-21(12-14-31)27(33)29-25-10-6-8-23(16-25)22-7-5-9-24(28)15-22/h5-10,15-16,18,21H,11-14,17H2,1-4H3,(H,29,33)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/a 7.53E+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)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76210
PNG
(1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]...)
Show SMILES CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C27H33FN4O/c1-18(2)32-20(4)26(19(3)30-32)17-31-13-11-21(12-14-31)27(33)29-25-10-6-8-23(16-25)22-7-5-9-24(28)15-22/h5-10,15-16,18,21H,11-14,17H2,1-4H3,(H,29,33)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.30E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76210
PNG
(1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]...)
Show SMILES CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C27H33FN4O/c1-18(2)32-20(4)26(19(3)30-32)17-31-13-11-21(12-14-31)27(33)29-25-10-6-8-23(16-25)22-7-5-9-24(28)15-22/h5-10,15-16,18,21H,11-14,17H2,1-4H3,(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.66E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair