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BDBM50122674 CHEMBL280213::N-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidin-6-yl]-phenyl}-isobutyramide::N-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidin-6-yl]-phenyl}-isobutyramide; HCL.1.5H2O

SMILES: CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1

InChI Key: InChIKey=FDZAPFIWXGZZEY-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50122674   
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
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122674
PNG
(CHEMBL280213 | N-{4-[5-[(Benzyl-methyl-amino)-meth...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C38H34F2N4O3S/c1-24(2)35(45)41-27-19-17-26(18-20-27)34-30(22-42(3)21-25-11-6-4-7-12-25)33-36(46)44(28-13-8-5-9-14-28)38(47)43(37(33)48-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H,41,45)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122674
PNG
(CHEMBL280213 | N-{4-[5-[(Benzyl-methyl-amino)-meth...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C38H34F2N4O3S/c1-24(2)35(45)41-27-19-17-26(18-20-27)34-30(22-42(3)21-25-11-6-4-7-12-25)33-36(46)44(28-13-8-5-9-14-28)38(47)43(37(33)48-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H,41,45)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...


J Med Chem 46: 113-24 (2002)


Article DOI: 10.1021/jm020180i
BindingDB Entry DOI: 10.7270/Q26W9BTR
More data for this
Ligand-Target Pair