BDBM50158400 CHEMBL3780191

SMILES: CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I

InChI Key: InChIKey=ALUVNQTWFGBHRE-DRZSPHRISA-N

Data: 2 IC50  4 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 6 hits for monomerid = 50158400   

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)	BDBM50158400 (CHEMBL3780191) Show SMILES CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I |r| Show InChI InChI=1S/C19H26I2N6O4/c1-2-7-27-15(20)11(25-19(27)21)9-12(24-17(30)10-5-6-14(28)23-10)18(31)26-8-3-4-13(26)16(22)29/h10,12-13H,2-9H2,1H3,(H2,22,29)(H,23,28)(H,24,30)/t10-,12-,13-/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]-Me-His-TRH from mouse TRH-R1 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs				Eur J Med Chem 111: 72-83 (2016) BindingDB Entry DOI: 10.7270/Q28G8NKF
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (MOUSE)	BDBM50158400 (CHEMBL3780191) Show SMILES CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I |r| Show InChI InChI=1S/C19H26I2N6O4/c1-2-7-27-15(20)11(25-19(27)21)9-12(24-17(30)10-5-6-14(28)23-10)18(31)26-8-3-4-13(26)16(22)29/h10,12-13H,2-9H2,1H3,(H2,22,29)(H,23,28)(H,24,30)/t10-,12-,13-/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	780	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 IP1 formation after 1 hr by ELISA				Eur J Med Chem 111: 72-83 (2016) BindingDB Entry DOI: 10.7270/Q28G8NKF
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (MOUSE)	BDBM50158400 (CHEMBL3780191) Show SMILES CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I |r| Show InChI InChI=1S/C19H26I2N6O4/c1-2-7-27-15(20)11(25-19(27)21)9-12(24-17(30)10-5-6-14(28)23-10)18(31)26-8-3-4-13(26)16(22)29/h10,12-13H,2-9H2,1H3,(H2,22,29)(H,23,28)(H,24,30)/t10-,12-,13-/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	2.40E+3	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 Ca2+ release by FLIPR assay				Eur J Med Chem 111: 72-83 (2016) BindingDB Entry DOI: 10.7270/Q28G8NKF
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2 (Mus musculus)	BDBM50158400 (CHEMBL3780191) Show SMILES CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I |r| Show InChI InChI=1S/C19H26I2N6O4/c1-2-7-27-15(20)11(25-19(27)21)9-12(24-17(30)10-5-6-14(28)23-10)18(31)26-8-3-4-13(26)16(22)29/h10,12-13H,2-9H2,1H3,(H2,22,29)(H,23,28)(H,24,30)/t10-,12-,13-/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]-Me-His-TRH from mouse TRH-R2 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs				Eur J Med Chem 111: 72-83 (2016) BindingDB Entry DOI: 10.7270/Q28G8NKF
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2 (Mus musculus)	BDBM50158400 (CHEMBL3780191) Show SMILES CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I |r| Show InChI InChI=1S/C19H26I2N6O4/c1-2-7-27-15(20)11(25-19(27)21)9-12(24-17(30)10-5-6-14(28)23-10)18(31)26-8-3-4-13(26)16(22)29/h10,12-13H,2-9H2,1H3,(H2,22,29)(H,23,28)(H,24,30)/t10-,12-,13-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	350	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 IP1 formation after 1 hr by ELISA				Eur J Med Chem 111: 72-83 (2016) BindingDB Entry DOI: 10.7270/Q28G8NKF
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2 (Mus musculus)	BDBM50158400 (CHEMBL3780191) Show SMILES CCCn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I |r| Show InChI InChI=1S/C19H26I2N6O4/c1-2-7-27-15(20)11(25-19(27)21)9-12(24-17(30)10-5-6-14(28)23-10)18(31)26-8-3-4-13(26)16(22)29/h10,12-13H,2-9H2,1H3,(H2,22,29)(H,23,28)(H,24,30)/t10-,12-,13-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	206	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 Ca2+ release by FLIPR assay				Eur J Med Chem 111: 72-83 (2016) BindingDB Entry DOI: 10.7270/Q28G8NKF
					More data for this Ligand-Target Pair