BDBM50162020 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL359754

SMILES: Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F

InChI Key: InChIKey=KSMPQSVSWDXWJN-QHCPKHFHSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50162020   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50162020 (3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...) Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity for Human gonadotropin-releasing hormone receptor				J Med Chem 48: 1169-78 (2005) Article DOI: 10.1021/jm049218c BindingDB Entry DOI: 10.7270/Q2MK6CD8
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50162020 (3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...) Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity for Monkey gonadotropin-releasing hormone receptor				J Med Chem 48: 1169-78 (2005) Article DOI: 10.1021/jm049218c BindingDB Entry DOI: 10.7270/Q2MK6CD8
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50162020 (3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...) Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity for Rat gonadotropin-releasing hormone receptor				J Med Chem 48: 1169-78 (2005) Article DOI: 10.1021/jm049218c BindingDB Entry DOI: 10.7270/Q2MK6CD8
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50162020 (3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...) Show SMILES Cc1c(-c2ccc3OCCOc3c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F Show InChI InChI=1S/C28H25F2N3O4/c1-17-26(19-10-11-24-25(14-19)37-13-12-36-24)27(34)33(16-23(31)18-6-3-2-4-7-18)28(35)32(17)15-20-21(29)8-5-9-22(20)30/h2-11,14,23H,12-13,15-16,31H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux				J Med Chem 48: 1169-78 (2005) Article DOI: 10.1021/jm049218c BindingDB Entry DOI: 10.7270/Q2MK6CD8
					More data for this Ligand-Target Pair