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SMILES: CCCN(CCC)c1c(F)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C

InChI Key: InChIKey=KIXFJYQVZDZLCL-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152163   
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))
BDBM50152163
PNG
(CHEMBL444614 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCCN(CCC)c1c(F)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.8,5.58,;4.27,4.12,;3.26,2.97,;3.74,1.51,;5.25,1.2,;6.27,2.35,;7.77,2.04,;2.71,.36,;3.2,-1.1,;4.71,-1.41,;2.17,-2.24,;2.66,-3.7,;.68,-1.92,;.19,-.47,;-1.2,.16,;-1.06,1.69,;-2.21,2.7,;.45,2,;1.22,.67,;-2.53,-.63,;-2.53,-2.17,;-3.87,-2.94,;-5.2,-2.17,;-5.2,-.63,;-3.87,.14,;-3.88,1.69,;-6.54,-2.94,;-6.54,-4.48,;-7.87,-2.17,)|
Show InChI InChI=1S/C22H31FN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152163
PNG
(CHEMBL444614 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCCN(CCC)c1c(F)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.8,5.58,;4.27,4.12,;3.26,2.97,;3.74,1.51,;5.25,1.2,;6.27,2.35,;7.77,2.04,;2.71,.36,;3.2,-1.1,;4.71,-1.41,;2.17,-2.24,;2.66,-3.7,;.68,-1.92,;.19,-.47,;-1.2,.16,;-1.06,1.69,;-2.21,2.7,;.45,2,;1.22,.67,;-2.53,-.63,;-2.53,-2.17,;-3.87,-2.94,;-5.2,-2.17,;-5.2,-.63,;-3.87,.14,;-3.88,1.69,;-6.54,-2.94,;-6.54,-4.48,;-7.87,-2.17,)|
Show InChI InChI=1S/C22H31FN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair