Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50015454   

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)	BDBM50072394 (1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...) Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r| Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain				J Med Chem 47: 6025-33 (2004) Article DOI: 10.1021/jm020531t BindingDB Entry DOI: 10.7270/Q2W095F0
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50156181 (3-carbamoyl-1-{3-(2-carbamoyl-pyrrolidin-1-yl)-3-o...) Show SMILES NC(=O)C1CCCN1C(=O)C(C[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1 Show InChI InChI=1S/C19H24N6O5/c20-16(27)11-3-1-7-24(9-11)10-13(23-18(29)12-5-6-15(26)22-12)19(30)25-8-2-4-14(25)17(21)28/h1,3,7,9,12-14H,2,4-6,8,10H2,(H5-,20,21,22,23,26,27,28,29)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain				J Med Chem 47: 6025-33 (2004) Article DOI: 10.1021/jm020531t BindingDB Entry DOI: 10.7270/Q2W095F0
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50156183 (3-carbamoyl-1-{6-(2-carbamoyl-pyrrolidin-1-yl)-6-o...) Show SMILES NC(=O)C1CCCN1C(=O)C(CCCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1 Show InChI InChI=1S/C22H30N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,5,11,13,15-17H,1-2,4,6-10,12H2,(H5-,23,24,25,26,29,30,31,32)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain				J Med Chem 47: 6025-33 (2004) Article DOI: 10.1021/jm020531t BindingDB Entry DOI: 10.7270/Q2W095F0
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50156179 (3-carbamoyl-1-{4-(2-carbamoyl-pyrrolidin-1-yl)-4-o...) Show SMILES NC(=O)C1CCCN1C(=O)C(CC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1 Show InChI InChI=1S/C20H26N6O5/c21-17(28)12-3-1-8-25(11-12)10-7-14(24-19(30)13-5-6-16(27)23-13)20(31)26-9-2-4-15(26)18(22)29/h1,3,8,11,13-15H,2,4-7,9-10H2,(H5-,21,22,23,24,27,28,29,30)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain				J Med Chem 47: 6025-33 (2004) Article DOI: 10.1021/jm020531t BindingDB Entry DOI: 10.7270/Q2W095F0
					More data for this Ligand-Target Pair
Thyrotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50156182 (3-carbamoyl-1-{5-(2-carbamoyl-pyrrolidin-1-yl)-5-o...) Show SMILES NC(=O)C1CCCN1C(=O)C(CCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1 Show InChI InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain				J Med Chem 47: 6025-33 (2004) Article DOI: 10.1021/jm020531t BindingDB Entry DOI: 10.7270/Q2W095F0
					More data for this Ligand-Target Pair