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BDBM50074443 CHEMBL169416::[3-(2-Bromo-4-isopropyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-(1-methoxymethyl-propyl)-amine

SMILES: CCC(COC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C

InChI Key: InChIKey=ZHUNFLIPSWZNCN-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50074443   
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))
BDBM50074443
PNG
(CHEMBL169416 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCC(COC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H25BrN6O/c1-6-14(10-27-5)23-18-17-19(22-12(4)21-18)26(25-24-17)16-8-7-13(11(2)3)9-15(16)20/h7-9,11,14H,6,10H2,1-5H3,(H,21,22,23)
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Article
PubMed
6.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074443
PNG
(CHEMBL169416 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCC(COC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H25BrN6O/c1-6-14(10-27-5)23-18-17-19(22-12(4)21-18)26(25-24-17)16-8-7-13(11(2)3)9-15(16)20/h7-9,11,14H,6,10H2,1-5H3,(H,21,22,23)
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PubMed
7.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074443
PNG
(CHEMBL169416 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCC(COC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H25BrN6O/c1-6-14(10-27-5)23-18-17-19(22-12(4)21-18)26(25-24-17)16-8-7-13(11(2)3)9-15(16)20/h7-9,11,14H,6,10H2,1-5H3,(H,21,22,23)
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PubMed
9.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair