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BDBM39447 1-(4-chlorophenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine::1-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine::MLS000077468::SMR000035758::[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-pyridylmethyl)amine::cid_661011

SMILES: Clc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12

InChI Key: InChIKey=LJFRHFCBNFUAJN-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 39447   
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39447
PNG
(1-(4-chlorophenyl)-N-(2-pyridinylmethyl)-4-pyrazol...)
Show SMILES Clc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C17H13ClN6/c18-12-4-6-14(7-5-12)24-17-15(10-23-24)16(21-11-22-17)20-9-13-3-1-2-8-19-13/h1-8,10-11H,9H2,(H,20,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 2.29E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39447
PNG
(1-(4-chlorophenyl)-N-(2-pyridinylmethyl)-4-pyrazol...)
Show SMILES Clc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C17H13ClN6/c18-12-4-6-14(7-5-12)24-17-15(10-23-24)16(21-11-22-17)20-9-13-3-1-2-8-19-13/h1-8,10-11H,9H2,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 2.80E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23T9FMP
More data for this
Ligand-Target Pair