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BDBM50148897 CHEMBL333735::Cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-2-methyl-5-methylsulfanyl-3H-pyrazolo[1,5-a]pyrimidin-7-yl]-propyl-amine

SMILES: CCCN(CC1CC1)c1cc(SC)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=AWWQTWFZYCICFJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148897   
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))		BDBM50148897
PNG
(CHEMBL333735 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(SC)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(14.51,-6.15,;14.47,-7.69,;15.77,-8.49,;15.74,-10.02,;17.05,-10.83,;17.01,-12.37,;18.31,-13.17,;15.65,-13.1,;14.39,-10.76,;14.34,-12.3,;12.97,-13.05,;12.93,-14.57,;11.58,-15.31,;11.66,-12.23,;11.71,-10.68,;10.6,-9.61,;11.28,-8.23,;10.55,-6.87,;12.81,-8.44,;13.07,-9.96,;9.1,-9.88,;8.57,-11.33,;7.06,-11.6,;6.07,-10.42,;4.57,-10.7,;6.59,-8.98,;8.1,-8.7,;8.5,-7.21,)|
Show InChI InChI=1S/C21H24Cl2N4S/c1-4-9-26(12-14-5-6-14)19-11-18(28-3)24-21-20(13(2)25-27(19)21)16-8-7-15(22)10-17(16)23/h7-8,10-11,14H,4-6,9,12H2,1-3H3
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Article
PubMed
 0.730n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair