BDBM50109039 CHEMBL3600454

SMILES: Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc(Br)[nH]c1Br)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=ZWYVFBBBUUPCJC-JQWIXIFHSA-N

Data: 2 IC50  2 EC50

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 = 50109039   

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
Thyrotropin-releasing hormone receptor (MOUSE)	BDBM50109039 (CHEMBL3600454) Show SMILES Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc(Br)[nH]c1Br)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C17H19Br2N7O3/c1-8-6-22-11(7-21-8)15(28)23-10(5-9-13(18)25-17(19)24-9)16(29)26-4-2-3-12(26)14(20)27/h6-7,10,12H,2-5H2,1H3,(H2,20,27)(H,23,28)(H,24,25)/t10-,12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as induction of changes in intracellular Ca2+ level by FLIPR method				Bioorg Med Chem 23: 5641-53 (2015) BindingDB Entry DOI: 10.7270/Q2JH3NZ9
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2 (Mus musculus)	BDBM50109039 (CHEMBL3600454) Show SMILES Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc(Br)[nH]c1Br)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C17H19Br2N7O3/c1-8-6-22-11(7-21-8)15(28)23-10(5-9-13(18)25-17(19)24-9)16(29)26-4-2-3-12(26)14(20)27/h6-7,10,12H,2-5H2,1H3,(H2,20,27)(H,23,28)(H,24,25)/t10-,12-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as induction of changes in intracellular Ca2+ level by FLIPR method				Bioorg Med Chem 23: 5641-53 (2015) BindingDB Entry DOI: 10.7270/Q2JH3NZ9
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (MOUSE)	BDBM50109039 (CHEMBL3600454) Show SMILES Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc(Br)[nH]c1Br)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C17H19Br2N7O3/c1-8-6-22-11(7-21-8)15(28)23-10(5-9-13(18)25-17(19)24-9)16(29)26-4-2-3-12(26)14(20)27/h6-7,10,12H,2-5H2,1H3,(H2,20,27)(H,23,28)(H,24,25)/t10-,12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]-1-MeHis-TRH from mouse TRH-R1 expressed in HEK293 cells incubated up to 4 hrs by scintillation counting method				Bioorg Med Chem 23: 5641-53 (2015) BindingDB Entry DOI: 10.7270/Q2JH3NZ9
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2 (Mus musculus)	BDBM50109039 (CHEMBL3600454) Show SMILES Cc1cnc(cn1)C(=O)N[C@@H](Cc1nc(Br)[nH]c1Br)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C17H19Br2N7O3/c1-8-6-22-11(7-21-8)15(28)23-10(5-9-13(18)25-17(19)24-9)16(29)26-4-2-3-12(26)14(20)27/h6-7,10,12H,2-5H2,1H3,(H2,20,27)(H,23,28)(H,24,25)/t10-,12-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]-1-MeHis-TRH from mouse TRH-R2 expressed in HEK293 cells incubated up to 4 hrs by scintillation counting method				Bioorg Med Chem 23: 5641-53 (2015) BindingDB Entry DOI: 10.7270/Q2JH3NZ9
					More data for this Ligand-Target Pair