Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Thyrotropin-releasing hormone receptor' and Ligand = 'BDBM50196445'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thyrotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50196445 ((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...) Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1 Show InChI InChI=1S/C20H30N6O4/c1-2-5-16-22-11-12(23-16)10-14(20(30)26-9-4-7-15(26)18(21)28)25-19(29)13-6-3-8-17(27)24-13/h11,13-15H,2-10H2,1H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	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]N(1)-Me-His-TRH from TRHR2				Bioorg Med Chem 15: 433-43 (2006) Article DOI: 10.1016/j.bmc.2006.09.045 BindingDB Entry DOI: 10.7270/Q2ZW1KJV
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50196445 ((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...) Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1 Show InChI InChI=1S/C20H30N6O4/c1-2-5-16-22-11-12(23-16)10-14(20(30)26-9-4-7-15(26)18(21)28)25-19(29)13-6-3-8-17(27)24-13/h11,13-15H,2-10H2,1H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	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]N(1)-Me-His-TRH from TRHR1				Bioorg Med Chem 15: 433-43 (2006) Article DOI: 10.1016/j.bmc.2006.09.045 BindingDB Entry DOI: 10.7270/Q2ZW1KJV
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50196445 ((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...) Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1 Show InChI InChI=1S/C20H30N6O4/c1-2-5-16-22-11-12(23-16)10-14(20(30)26-9-4-7-15(26)18(21)28)25-19(29)13-6-3-8-17(27)24-13/h11,13-15H,2-10H2,1H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity				Bioorg Med Chem 15: 433-43 (2006) Article DOI: 10.1016/j.bmc.2006.09.045 BindingDB Entry DOI: 10.7270/Q2ZW1KJV
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50196445 ((2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarb...) Show SMILES CCCc1ncc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1 Show InChI InChI=1S/C20H30N6O4/c1-2-5-16-22-11-12(23-16)10-14(20(30)26-9-4-7-15(26)18(21)28)25-19(29)13-6-3-8-17(27)24-13/h11,13-15H,2-10H2,1H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t13-,14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity				Bioorg Med Chem 15: 433-43 (2006) Article DOI: 10.1016/j.bmc.2006.09.045 BindingDB Entry DOI: 10.7270/Q2ZW1KJV
					More data for this Ligand-Target Pair