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BDBM50109256 3-(4-tert-Butyl-4,5-dihydro-oxazol-2-yl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-7-(4-nitro-phenyl)-1H-pyrrolo[1,2-a]pyrimidin-4-one::CHEMBL132338

SMILES: CN(CCc1ccccn1)Cc1c(cc2n(Cc3ccccc3F)cc(-c3nc(co3)C(C)(C)C)c(=O)n12)-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=PUMDQJFTFGAXSD-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109256   
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))		BDBM50109256
PNG
(3-(4-tert-Butyl-4,5-dihydro-oxazol-2-yl)-1-(2-fluo...)
Show SMILES CN(CCc1ccccn1)Cc1c(cc2n(Cc3ccccc3F)cc(-c3nc(co3)C(C)(C)C)c(=O)n12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H35FN6O4/c1-36(2,3)32-23-47-34(39-32)29-21-41(20-25-9-5-6-11-30(25)37)33-19-28(24-12-14-27(15-13-24)43(45)46)31(42(33)35(29)44)22-40(4)18-16-26-10-7-8-17-38-26/h5-15,17,19,21,23H,16,18,20,22H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 64n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...

Bioorg Med Chem Lett 12: 403-6 (2002)


BindingDB Entry DOI: 10.7270/Q2542MXV
More data for this
Ligand-Target Pair