Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50008356   

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 1B (Chick)	BDBM50072660 (CHEMBL111866 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...) Show SMILES CCCC(=O)NCC1CCCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072651 (CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...) Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072651 (CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...) Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50037220 (1-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-pyrrolidin...) Show SMILES COc1ccc2cccc(CCN3CCCC3=O)c2c1 Show InChI InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072656 (CHEMBL111879 | N-(3-Methoxy-6,7,8,9-tetrahydro-5H-...) Show SMILES CCCC(=O)NCC1CCCCc2ccc(OC)cc12 Show InChI InChI=1S/C17H25NO2/c1-3-6-17(19)18-12-14-8-5-4-7-13-9-10-15(20-2)11-16(13)14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072652 (CHEMBL113244 | N-(6-Methoxy-indan-1-ylmethyl)-prop...) Show SMILES CCC(=O)NCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C14H19NO2/c1-3-14(16)15-9-11-5-4-10-6-7-12(17-2)8-13(10)11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072652 (CHEMBL113244 | N-(6-Methoxy-indan-1-ylmethyl)-prop...) Show SMILES CCC(=O)NCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C14H19NO2/c1-3-14(16)15-9-11-5-4-10-6-7-12(17-2)8-13(10)11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072654 (CHEMBL113067 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...) Show SMILES COc1ccc2CCCC(CNC(C)=O)c2c1 Show InChI InChI=1S/C14H19NO2/c1-10(16)15-9-12-5-3-4-11-6-7-13(17-2)8-14(11)12/h6-8,12H,3-5,9H2,1-2H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072653 (CHEMBL113243 | N-(6-Methoxy-indan-1-ylmethyl)-buty...) Show SMILES CCCC(=O)NCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-4-15(17)16-10-12-6-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072652 (CHEMBL113244 | N-(6-Methoxy-indan-1-ylmethyl)-prop...) Show SMILES CCC(=O)NCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C14H19NO2/c1-3-14(16)15-9-11-5-4-10-6-7-12(17-2)8-13(10)11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072661 (CHEMBL111880 | N-(3-Methoxy-6,7,8,9-tetrahydro-5H-...) Show SMILES CCC(=O)NCC1CCCCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-16(18)17-11-13-7-5-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072657 (CHEMBL320136 | N-(3-Methoxy-6,7,8,9-tetrahydro-5H-...) Show SMILES COc1ccc2CCCCC(CNC(C)=O)c2c1 Show InChI InChI=1S/C15H21NO2/c1-11(17)16-10-13-6-4-3-5-12-7-8-14(18-2)9-15(12)13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072658 (CHEMBL114929 | N-(4-Methoxy-bicyclo[4.2.0]octa-1,3...) Show SMILES CCC(=O)NCC1Cc2ccc(OC)cc12 Show InChI InChI=1S/C13H17NO2/c1-3-13(15)14-8-10-6-9-4-5-11(16-2)7-12(9)10/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072655 (CHEMBL112164 | N-(4-Methoxy-bicyclo[4.2.0]octa-1,3...) Show SMILES CCCC(=O)NCC1Cc2ccc(OC)cc12 Show InChI InChI=1S/C14H19NO2/c1-3-4-14(16)15-9-11-7-10-5-6-12(17-2)8-13(10)11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072659 (CHEMBL111667 | N-(6-Methoxy-indan-1-ylmethyl)-acet...) Show SMILES COc1ccc2CCC(CNC(C)=O)c2c1 Show InChI InChI=1S/C13H17NO2/c1-9(15)14-8-11-4-3-10-5-6-12(16-2)7-13(10)11/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50035176 (8-M-ADOT | CHEMBL53015 | N-(8-Methoxy-1,2,3,4-tetr...) Show SMILES COc1cccc2CCC(Cc12)NC(C)=O Show InChI InChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072650 (CHEMBL419939 | N-(4-Methoxy-bicyclo[4.2.0]octa-1,3...) Show SMILES COc1ccc2CC(CNC(C)=O)c2c1 Show InChI InChI=1S/C12H15NO2/c1-8(14)13-7-10-5-9-3-4-11(15-2)6-12(9)10/h3-4,6,10H,5,7H2,1-2H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM50072651 (CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...) Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 8: 3325-30 (1999) BindingDB Entry DOI: 10.7270/Q2R78DD7
					More data for this Ligand-Target Pair