Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'li' and Initial = 'pk'   

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 1A (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035202 (CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035202 (CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for binding affinity against human Melatonin receptor type 1B in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035202 (CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035202 (CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290238 (CHEMBL80736 | N-[2-(2-Ethoxy-7-methoxy-naphthalen-...) Show SMILES CCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC Show InChI InChI=1S/C18H23NO3/c1-4-18(20)19-11-10-15-16-12-14(21-3)8-6-13(16)7-9-17(15)22-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290000 (CHEMBL68864 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...) Show SMILES CCCC(=O)NCCc1ccnc2ccc(OC)cc12 Show InChI InChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290003 (CHEMBL306468 | N-[2-(6-Methoxy-quinolin-4-yl)-ethy...) Show SMILES CCC(=O)NCCc1ccnc2ccc(OC)cc12 Show InChI InChI=1S/C15H18N2O2/c1-3-15(18)17-9-7-11-6-8-16-14-5-4-12(19-2)10-13(11)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290238 (CHEMBL80736 | N-[2-(2-Ethoxy-7-methoxy-naphthalen-...) Show SMILES CCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC Show InChI InChI=1S/C18H23NO3/c1-4-18(20)19-11-10-15-16-12-14(21-3)8-6-13(16)7-9-17(15)22-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290234 (CHEMBL440692 | N-[2-(2-Hydroxy-7-methoxy-naphthale...) Show SMILES CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12 Show InChI InChI=1S/C16H19NO3/c1-3-16(19)17-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)18/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50061570 (Bromo-acetic acid 7-methoxy-1-(2-propionylamino-et...) Show SMILES CCC(=O)NCCc1c(OC(=O)CBr)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H20BrNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290239 (CHEMBL78751 | N-{2-[2-(2-Hydroxy-ethoxy)-7-methoxy...) Show SMILES CCC(=O)NCCc1c(OCCO)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H23NO4/c1-3-18(21)19-9-8-15-16-12-14(22-2)6-4-13(16)5-7-17(15)23-11-10-20/h4-7,12,20H,3,8-11H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290002 (CHEMBL69521 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...) Show SMILES COc1ccc2nccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50061569 (CHEMBL131919 | Chloro-acetic acid 7-methoxy-1-(2-p...) Show SMILES CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H20ClNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290234 (CHEMBL440692 | N-[2-(2-Hydroxy-7-methoxy-naphthale...) Show SMILES CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12 Show InChI InChI=1S/C16H19NO3/c1-3-16(19)17-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)18/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290000 (CHEMBL68864 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...) Show SMILES CCCC(=O)NCCc1ccnc2ccc(OC)cc12 Show InChI InChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290239 (CHEMBL78751 | N-{2-[2-(2-Hydroxy-ethoxy)-7-methoxy...) Show SMILES CCC(=O)NCCc1c(OCCO)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H23NO4/c1-3-18(21)19-9-8-15-16-12-14(22-2)6-4-13(16)5-7-17(15)23-11-10-20/h4-7,12,20H,3,8-11H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290002 (CHEMBL69521 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...) Show SMILES COc1ccc2nccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290237 (CHEMBL82135 | N-[2-(2-Butoxy-7-methoxy-naphthalen-...) Show SMILES CCCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC Show InChI InChI=1S/C20H27NO3/c1-4-6-13-24-19-10-8-15-7-9-16(23-3)14-18(15)17(19)11-12-21-20(22)5-2/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290003 (CHEMBL306468 | N-[2-(6-Methoxy-quinolin-4-yl)-ethy...) Show SMILES CCC(=O)NCCc1ccnc2ccc(OC)cc12 Show InChI InChI=1S/C15H18N2O2/c1-3-15(18)17-9-7-11-6-8-16-14-5-4-12(19-2)10-13(11)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290237 (CHEMBL82135 | N-[2-(2-Butoxy-7-methoxy-naphthalen-...) Show SMILES CCCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC Show InChI InChI=1S/C20H27NO3/c1-4-6-13-24-19-10-8-15-7-9-16(23-3)14-18(15)17(19)11-12-21-20(22)5-2/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290241 (CHEMBL311106 | N-[2-(7-Methoxy-2-propoxy-naphthale...) Show SMILES CCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC Show InChI InChI=1S/C19H25NO3/c1-4-12-23-18-9-7-14-6-8-15(22-3)13-17(14)16(18)10-11-20-19(21)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290236 (CHEMBL80792 | N-{2-[2-(2-Dimethylamino-ethoxy)-7-m...) Show SMILES CCC(=O)NCCc1c(OCCN(C)C)ccc2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O3/c1-5-20(23)21-11-10-17-18-14-16(24-4)8-6-15(18)7-9-19(17)25-13-12-22(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50061569 (CHEMBL131919 | Chloro-acetic acid 7-methoxy-1-(2-p...) Show SMILES CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H20ClNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells				J Med Chem 40: 4195-8 (1998) Article DOI: 10.1021/jm970437q BindingDB Entry DOI: 10.7270/Q2930S90
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290241 (CHEMBL311106 | N-[2-(7-Methoxy-2-propoxy-naphthale...) Show SMILES CCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC Show InChI InChI=1S/C19H25NO3/c1-4-12-23-18-9-7-14-6-8-15(22-3)13-17(14)16(18)10-11-20-19(21)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290235 (CHEMBL78338 | {2-[7-Methoxy-1-(2-propionylamino-et...) Show SMILES CCC(=O)NCCc1c(OCC[N+](C)(C)C)ccc2ccc(OC)cc12 Show InChI InChI=1S/C21H30N2O3/c1-6-21(24)22-12-11-18-19-15-17(25-5)9-7-16(19)8-10-20(18)26-14-13-23(2,3)4/h7-10,15H,6,11-14H2,1-5H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290236 (CHEMBL80792 | N-{2-[2-(2-Dimethylamino-ethoxy)-7-m...) Show SMILES CCC(=O)NCCc1c(OCCN(C)C)ccc2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O3/c1-5-20(23)21-11-10-17-18-14-16(24-4)8-6-15(18)7-9-19(17)25-13-12-22(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014562 (7-Benzyl-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16...) Show SMILES CC12CCC3C(C1CCC2=O)C(Cc1ccccc1)=CC1=CC(=O)CCC31C |c:21,t:23| Show InChI InChI=1S/C26H30O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,15-16,21-22,24H,8-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290240 (CHEMBL79224 | N-{2-[2-(2-Iodo-ethoxy)-7-methoxy-na...) Show SMILES CCC(=O)NCCc1c(OCCI)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H22INO3/c1-3-18(21)20-10-8-15-16-12-14(22-2)6-4-13(16)5-7-17(15)23-11-9-19/h4-7,12H,3,8-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014559 (7-(4-Amino-benzyl)-10,13-dimethyl-1,8,9,10,11,12,1...) Show SMILES CC12CCC3C(C1CCC2=O)C(Cc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:22,t:24| Show InChI InChI=1S/C26H31NO2/c1-25-11-9-20(28)15-18(25)14-17(13-16-3-5-19(27)6-4-16)24-21-7-8-23(29)26(21,2)12-10-22(24)25/h3-6,14-15,21-22,24H,7-13,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014565 (7-[2-(4-Amino-phenyl)-ethyl]-10,13-dimethyl-1,8,9,...) Show SMILES CC12CCC3C(C1CCC2=O)C(CCc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:23,t:25| Show InChI InChI=1S/C27H33NO2/c1-26-13-11-21(29)16-19(26)15-18(6-3-17-4-7-20(28)8-5-17)25-22-9-10-24(30)27(22,2)14-12-23(25)26/h4-5,7-8,15-16,22-23,25H,3,6,9-14,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290235 (CHEMBL78338 | {2-[7-Methoxy-1-(2-propionylamino-et...) Show SMILES CCC(=O)NCCc1c(OCC[N+](C)(C)C)ccc2ccc(OC)cc12 Show InChI InChI=1S/C21H30N2O3/c1-6-21(24)22-12-11-18-19-15-17(25-5)9-7-16(19)8-10-20(18)26-14-13-23(2,3)4/h7-10,15H,6,11-14H2,1-5H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014560 (10,13-Dimethyl-7-(4-nitro-benzyl)-1,8,9,10,11,12,1...) Show SMILES CC12CCC3C(C1CCC2=O)C(Cc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:24,t:26| Show InChI InChI=1S/C26H29NO4/c1-25-11-9-20(28)15-18(25)14-17(13-16-3-5-19(6-4-16)27(30)31)24-21-7-8-23(29)26(21,2)12-10-22(24)25/h3-6,14-15,21-22,24H,7-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014563 (10,13-Dimethyl-7-[2-(4-nitro-phenyl)-ethyl]-1,8,9,...) Show SMILES CC12CCC3C(C1CCC2=O)C(CCc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:25,t:27| Show InChI InChI=1S/C27H31NO4/c1-26-13-11-21(29)16-19(26)15-18(6-3-17-4-7-20(8-5-17)28(31)32)25-22-9-10-24(30)27(22,2)14-12-23(25)26/h4-5,7-8,15-16,22-23,25H,3,6,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290240 (CHEMBL79224 | N-{2-[2-(2-Iodo-ethoxy)-7-methoxy-na...) Show SMILES CCC(=O)NCCc1c(OCCI)ccc2ccc(OC)cc12 Show InChI InChI=1S/C18H22INO3/c1-3-18(21)20-10-8-15-16-12-14(22-2)6-4-13(16)5-7-17(15)23-11-9-19/h4-7,12H,3,8-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014561 (10,13-Dimethyl-7-phenethyl-1,8,9,10,11,12,13,14,15...) Show SMILES CC12CCC3C(C1CCC2=O)C(CCc1ccccc1)=CC1=CC(=O)CCC31C |c:22,t:24| Show InChI InChI=1S/C27H32O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,16-17,22-23,25H,8-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290004 (4-(2-Acetylamino-ethyl)-6-methoxy-1-methyl-quinoli...) Show SMILES COc1ccc2[n+](C)ccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H18N2O2/c1-11(18)16-8-6-12-7-9-17(2)15-5-4-13(19-3)10-14(12)15/h4-5,7,9-10H,6,8H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290001 (6-Methoxy-1-methyl-4-(2-propionylamino-ethyl)-quin...) Show SMILES CCC(=O)NCCc1cc[n+](C)c2ccc(OC)cc12 Show InChI InChI=1S/C16H20N2O2/c1-4-16(19)17-9-7-12-8-10-18(2)15-6-5-13(20-3)11-14(12)15/h5-6,8,10-11H,4,7,9H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50290004 (4-(2-Acetylamino-ethyl)-6-methoxy-1-methyl-quinoli...) Show SMILES COc1ccc2[n+](C)ccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H18N2O2/c1-11(18)16-8-6-12-7-9-17(2)15-5-4-13(19-3)10-14(12)15/h4-5,7,9-10H,6,8H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50290001 (6-Methoxy-1-methyl-4-(2-propionylamino-ethyl)-quin...) Show SMILES CCC(=O)NCCc1cc[n+](C)c2ccc(OC)cc12 Show InChI InChI=1S/C16H20N2O2/c1-4-16(19)17-9-7-12-8-10-18(2)15-6-5-13(20-3)11-14(12)15/h5-6,8,10-11H,4,7,9H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells				Bioorg Med Chem Lett 7: 2177-2180 (1997) Article DOI: 10.1016/S0960-894X(97)00392-2 BindingDB Entry DOI: 10.7270/Q208659R
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014564 (10,13-Dimethyl-7-phenyl-1,8,9,10,11,12,13,14,15,16...) Show SMILES CC12CCC3C(C1CCC2=O)C(=CC1=CC(=O)CCC31C)c1ccccc1 |c:13,t:15| Show InChI InChI=1S/C25H28O2/c1-24-12-10-18(26)14-17(24)15-19(16-6-4-3-5-7-16)23-20-8-9-22(27)25(20,2)13-11-21(23)24/h3-7,14-15,20-21,23H,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description In vitro inhibition of human placental cytochrome P450 19A1				J Med Chem 33: 101-5 (1990) BindingDB Entry DOI: 10.7270/Q2KP8141
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells				Bioorg Med Chem Lett 7: 2409-2414 (1997) Article DOI: 10.1016/S0960-894X(97)00444-7 BindingDB Entry DOI: 10.7270/Q25T3KFF
					More data for this Ligand-Target Pair

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