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BDBM50116095 CHEMBL293228::[3-(2,4-Dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine

SMILES: CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12

InChI Key: InChIKey=MHZRKNQEMNLMHP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50116095   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50116095
PNG
(CHEMBL293228 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...)
Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(.02,4.59,;-1.31,3.8,;-1.3,2.26,;-2.64,1.49,;-3.97,2.26,;-3.98,3.8,;-5.31,4.57,;-2.63,-.05,;-3.96,-.82,;-3.96,-2.36,;-5.3,-3.13,;-2.63,-3.13,;-1.3,-2.36,;.17,-2.85,;.66,-4.32,;-.37,-5.44,;.1,-6.91,;1.61,-7.24,;2.08,-8.7,;2.64,-6.07,;2.15,-4.63,;3.18,-3.48,;1.1,-1.59,;2.64,-1.59,;.17,-.33,;-1.3,-.82,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-9-26(10-6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-8-7-13(20)11-15(14)21/h7-8,11H,5-6,9-10H2,1-4H3
PDB
MMDB

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PC cid
PC sid
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PubMed
2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 12: 2133-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
More data for this
Ligand-Target Pair