Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50041503   

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
Melatonin receptor type 1C (Xenopus)	BDBM50423058 (CHEMBL244471) Show SMILES O=C(NCCc1cn2CCCc3cccc1c23)C1CC1 Show InChI InChI=1S/C17H20N2O/c20-17(13-6-7-13)18-9-8-14-11-19-10-2-4-12-3-1-5-15(14)16(12)19/h1,3,5,11,13H,2,4,6-10H2,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423056 (CHEMBL243002) Show SMILES CC(=O)NCC1(CCCCC1)c1cn2CCCc3cccc1c23 Show InChI InChI=1S/C20H26N2O/c1-15(23)21-14-20(10-3-2-4-11-20)18-13-22-12-6-8-16-7-5-9-17(18)19(16)22/h5,7,9,13H,2-4,6,8,10-12,14H2,1H3,(H,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423059 (CHEMBL244472) Show SMILES CCCC(=O)NCCCc1cn2CCCc3cccc1c23 Show InChI InChI=1S/C18H24N2O/c1-2-6-17(21)19-11-4-8-15-13-20-12-5-9-14-7-3-10-16(15)18(14)20/h3,7,10,13H,2,4-6,8-9,11-12H2,1H3,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423057 (CHEMBL242573) Show SMILES O=C(NCCCc1cn2CCCc3cccc1c23)C1CC1 Show InChI InChI=1S/C18H22N2O/c21-18(14-8-9-14)19-10-2-5-15-12-20-11-3-6-13-4-1-7-16(15)17(13)20/h1,4,7,12,14H,2-3,5-6,8-11H2,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423062 (CHEMBL242786) Show SMILES O=C(NCCCc1cn2CCCc3cccc1c23)C1CCC1 Show InChI InChI=1S/C19H24N2O/c22-19(15-6-1-7-15)20-11-3-8-16-13-21-12-4-9-14-5-2-10-17(16)18(14)21/h2,5,10,13,15H,1,3-4,6-9,11-12H2,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423063 (CHEMBL396501) Show SMILES CCCC(=O)NCCc1cn2CCCc3cccc1c23 Show InChI InChI=1S/C17H22N2O/c1-2-5-16(20)18-10-9-14-12-19-11-4-7-13-6-3-8-15(14)17(13)19/h3,6,8,12H,2,4-5,7,9-11H2,1H3,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423061 (CHEMBL243003) Show SMILES CCCC(=O)NCC1(CCCCC1)c1cn2CCCc3cccc1c23 Show InChI InChI=1S/C22H30N2O/c1-2-8-20(25)23-16-22(12-4-3-5-13-22)19-15-24-14-7-10-17-9-6-11-18(19)21(17)24/h6,9,11,15H,2-5,7-8,10,12-14,16H2,1H3,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423055 (CHEMBL244957) Show SMILES CCC(=O)NCCc1cn2CCCc3cccc1c23 Show InChI InChI=1S/C16H20N2O/c1-2-15(19)17-9-8-13-11-18-10-4-6-12-5-3-7-14(13)16(12)18/h3,5,7,11H,2,4,6,8-10H2,1H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM85065 (CAS_117946-91-5 | Luzindole | NSC_122162) Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423064 (CHEMBL244263) Show SMILES CCC(=O)NCCCc1cn2CCCc3cccc1c23 Show InChI InChI=1S/C17H22N2O/c1-2-16(20)18-10-4-7-14-12-19-11-5-8-13-6-3-9-15(14)17(13)19/h3,6,9,12H,2,4-5,7-8,10-11H2,1H3,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423060 (CHEMBL241928) Show SMILES CC(=O)NCCCc1cn2CCCc3cccc1c23 Show InChI InChI=1S/C16H20N2O/c1-12(19)17-9-3-6-14-11-18-10-4-7-13-5-2-8-15(14)16(13)18/h2,5,8,11H,3-4,6-7,9-10H2,1H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50423065 (CHEMBL242806) Show SMILES CC(=O)NCCc1cn2CCCc3cccc1c23 Show InChI InChI=1S/C15H18N2O/c1-11(18)16-8-7-13-10-17-9-3-5-12-4-2-6-14(13)15(12)17/h2,4,6,10H,3,5,7-9H2,1H3,(H,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM50411361 (CHEMBL396991) Show SMILES CC(=O)NCC(C)(C)c1cn2CCCc3cccc1c23 Show InChI InChI=1S/C17H22N2O/c1-12(20)18-11-17(2,3)15-10-19-9-5-7-13-6-4-8-14(15)16(13)19/h4,6,8,10H,5,7,9,11H2,1-3H3,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins				Eur J Med Chem 42: 1004-13 (2007) Article DOI: 10.1016/j.ejmech.2007.01.005 BindingDB Entry DOI: 10.7270/Q2B859BK
					More data for this Ligand-Target Pair