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PubMed code 12904058

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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Article
PubMed
 1n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for the Corticotropin releasing factor receptor 1 (CRHR1) was determined in rat brain

J Med Chem 46: 3559-62 (2003)


Article DOI: 10.1021/jm034077k
BindingDB Entry DOI: 10.7270/Q2NS0VN9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50131716
PNG
(CHEMBL430892 | [3-(4-Bromo-2-chloro-phenyl)-2,5-di...)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(2.5,2.36,;1.17,3.13,;-.17,2.36,;-1.5,3.12,;-2.85,2.35,;-4.18,3.11,;-5.51,2.34,;-6.84,3.11,;-8.17,2.34,;-2.83,.81,;-4.16,.04,;-4.16,-1.51,;-5.51,-2.28,;-2.83,-2.28,;-1.49,-1.5,;-.03,-1.98,;.88,-.73,;2.42,-.73,;-.03,.52,;-1.49,.04,;.44,-3.44,;-.59,-4.58,;-.12,-6.04,;1.39,-6.36,;1.87,-7.83,;2.43,-5.21,;1.94,-3.75,;2.96,-2.61,)|
Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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PubMed
 1.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for the Corticotropin releasing factor receptor 1 (CRHR1) was determined in rat brain

J Med Chem 46: 3559-62 (2003)


Article DOI: 10.1021/jm034077k
BindingDB Entry DOI: 10.7270/Q2NS0VN9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%