Compile Data Set for Download or QSAR

Found 473 hits with Last Name = 'miyamoto' and Initial = 'm'   

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/1B (Homo sapiens (Human))	BDBM50118462 (2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-...) Show SMILES COc1ccc2CC(=C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1 |t:7| Show InChI InChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.00602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118435 (2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]...) Show SMILES COc1ccc2CC[C@@H](CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50118470 (CHEMBL1218 | N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-...) Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 Show InChI InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	0.0138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1A (MT1)				J Med Chem 45: 4222-39 (2002) BindingDB Entry DOI: 10.7270/Q2D799S6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118446 (2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]...) Show SMILES COc1ccc2CCC(CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118456 (CHEMBL334645 | N-[2-(6-Methoxy-3H-inden-1-yl)-ethy...) Show SMILES CCC(=O)NCCC1=CCc2ccc(OC)cc12 |t:7| Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118453 ((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide ...) Show SMILES CCCC(=O)NCC[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118440 (2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-eth...) Show SMILES COc1ccc2CC=C(CCNC(=O)C(F)(F)F)c2c1 |t:7| Show InChI InChI=1S/C14H14F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118430 ((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-propionamid...) Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50118470 (CHEMBL1218 | N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-...) Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 Show InChI InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1B (MT2)				J Med Chem 45: 4222-39 (2002) BindingDB Entry DOI: 10.7270/Q2D799S6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118463 (2,2,2-Trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydro...) Show SMILES COc1ccc2CCCC(CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C15H18F3NO2/c1-21-12-6-5-10-3-2-4-11(13(10)9-12)7-8-19-14(20)15(16,17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118450 (CHEMBL335437 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...) Show SMILES CCCC(=O)NCCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118458 (CHEMBL337837 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...) Show SMILES CCC(=O)NCCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0728	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118460 ((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-acetamide |...) Show SMILES COc1ccc2CC[C@@H](CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H19NO2/c1-10(16)15-8-7-12-4-3-11-5-6-13(17-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0733	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.0823	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					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 PubMed	0.0823	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1A (MT1)				J Med Chem 45: 4222-39 (2002) BindingDB Entry DOI: 10.7270/Q2D799S6
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118436 (2,2,2-Trifluoro-N-[2-(6-methoxy-5-methyl-indan-1-y...) Show SMILES COc1cc2C(CCNC(=O)C(F)(F)F)CCc2cc1C Show InChI InChI=1S/C15H18F3NO2/c1-9-7-11-4-3-10(12(11)8-13(9)21-2)5-6-19-14(20)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0984	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118447 (CHEMBL134878 | N-[2-(6-Ethoxy-indan-1-yl)-ethyl]-p...) Show SMILES CCOc1ccc2CCC(CCNC(=O)CC)c2c1 Show InChI InChI=1S/C16H23NO2/c1-3-16(18)17-10-9-13-6-5-12-7-8-14(19-4-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118441 (CHEMBL134171 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...) Show SMILES COc1ccc2CCC(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H19NO2/c1-10(16)15-8-7-12-4-3-11-5-6-13(17-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					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 PubMed	0.195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1B (MT2)				J Med Chem 45: 4222-39 (2002) BindingDB Entry DOI: 10.7270/Q2D799S6
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118438 ((E) N-[2-(6-Methoxy-indan-1-ylidene)-ethyl]-propio...) Show SMILES CCC(=O)NC\C=C1/CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)/b12-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118445 (CHEMBL134832 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...) Show SMILES COc1ccc2CCC(CCNC(=O)C(C)C)c2c1 Show InChI InChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118452 (CHEMBL134933 | N-[2-(6-Propoxy-indan-1-yl)-ethyl]-...) Show SMILES CCCOc1ccc2CCC(CCNC(=O)CC)c2c1 Show InChI InChI=1S/C17H25NO2/c1-3-11-20-15-8-7-13-5-6-14(16(13)12-15)9-10-18-17(19)4-2/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118444 (2,2,2-Trifluoro-N-[3-(6-methoxy-indan-1-yl)-propyl...) Show SMILES COc1ccc2CCC(CCCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C15H18F3NO2/c1-21-12-7-6-11-5-4-10(13(11)9-12)3-2-8-19-14(20)15(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118437 ((Z) N-[2-(6-Methoxy-indan-1-ylidene)-ethyl]-propio...) Show SMILES CCC(=O)NC\C=C1\CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)/b12-8-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118459 (CHEMBL135366 | Pentanoic acid [2-(6-methoxy-indan-...) Show SMILES CCCCC(=O)NCCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C17H25NO2/c1-3-4-5-17(19)18-11-10-14-7-6-13-8-9-15(20-2)12-16(13)14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118439 (CHEMBL134875 | N-[2-(6-Isopropoxy-indan-1-yl)-ethy...) Show SMILES CCC(=O)NCCC1CCc2ccc(OC(C)C)cc12 Show InChI InChI=1S/C17H25NO2/c1-4-17(19)18-10-9-14-6-5-13-7-8-15(11-16(13)14)20-12(2)3/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118451 (2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-indan-1-y...) Show SMILES COc1ccc2CC(C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1 Show InChI InChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118434 (2,2,2-Trifluoro-N-[2-(3-methoxy-6,7,8,9-tetrahydro...) Show SMILES COc1ccc2CCCCC(CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C16H20F3NO2/c1-22-13-7-6-11-4-2-3-5-12(14(11)10-13)8-9-20-15(21)16(17,18)19/h6-7,10,12H,2-5,8-9H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118457 (CHEMBL339840 | N-[2-(5,6-Dimethoxy-indan-1-yl)-eth...) Show SMILES COc1cc2CCC(CCNC(C)=O)c2cc1OC Show InChI InChI=1S/C15H21NO3/c1-10(17)16-7-6-11-4-5-12-8-14(18-2)15(19-3)9-13(11)12/h8-9,11H,4-7H2,1-3H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50171475 (CHEMBL190288 | {3-[2-(Diphenyl-ethanesulfonyl)-eth...) Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12 Show InChI InChI=1S/C27H26O7S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)35(31,32)16-15-21-22-13-8-14-23(33-18-25(29)30)26(22)34-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50171478 (CHEMBL190236 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...) Show SMILES CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H26O5S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-21-22-13-8-14-23(31-18-25(29)30)26(22)32-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118432 ((R) 2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-et...) Show SMILES COc1ccc2CC[C@H](CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118454 (CHEMBL135305 | N-[2-(2-Benzyl-6-methoxy-3H-inden-1...) Show SMILES COc1ccc2CC(Cc3ccccc3)=C(CCNC(=O)C(F)(F)F)c2c1 |t:15| Show InChI InChI=1S/C21H20F3NO2/c1-27-17-8-7-15-12-16(11-14-5-3-2-4-6-14)18(19(15)13-17)9-10-25-20(26)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50118440 (2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-eth...) Show SMILES COc1ccc2CC=C(CCNC(=O)C(F)(F)F)c2c1 |t:7| Show InChI InChI=1S/C14H14F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118455 ((R) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-acetamide |...) Show SMILES COc1ccc2CC[C@H](CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H19NO2/c1-10(16)15-8-7-12-4-3-11-5-6-13(17-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118442 (2,2,2-Trifluoro-N-(2-indan-1-yl-ethyl)-acetamide |...) Show SMILES FC(F)(F)C(=O)NCCC1CCc2ccccc12 Show InChI InChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118448 (CHEMBL135946 | N-[2-(6-Hydroxy-indan-1-yl)-ethyl]-...) Show SMILES CCC(=O)NCCC1CCc2ccc(O)cc12 Show InChI InChI=1S/C14H19NO2/c1-2-14(17)15-8-7-11-4-3-10-5-6-12(16)9-13(10)11/h5-6,9,11,16H,2-4,7-8H2,1H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50171477 (CHEMBL191056 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...) Show SMILES CC(SCCc1coc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24O4S/c1-26(20-9-4-2-5-10-20,21-11-6-3-7-12-21)31-16-15-19-17-30-25-22(19)13-8-14-23(25)29-18-24(27)28/h2-14,17H,15-16,18H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118443 (2,2,2-Trifluoro-N-(6-methoxy-indan-1-ylmethyl)-ace...) Show SMILES COc1ccc2CCC(CNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C13H14F3NO2/c1-19-10-5-4-8-2-3-9(11(8)6-10)7-17-12(18)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia 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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118433 (2,2,2-Trifluoro-N-[2-(6-methoxy-7-methyl-indan-1-y...) Show SMILES COc1ccc2CCC(CCNC(=O)C(F)(F)F)c2c1C Show InChI InChI=1S/C15H18F3NO2/c1-9-12(21-2)6-5-10-3-4-11(13(9)10)7-8-19-14(20)15(16,17)18/h5-6,11H,3-4,7-8H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118431 ((R) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-propionamid...) Show SMILES CCC(=O)NCC[C@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118449 ((R) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide ...) Show SMILES CCCC(=O)NCC[C@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118461 (CHEMBL424641 | N-[2-(6,7-Dimethoxy-indan-1-yl)-eth...) Show SMILES COc1ccc2CCC(CCNC(C)=O)c2c1OC Show InChI InChI=1S/C15H21NO3/c1-10(17)16-9-8-12-5-4-11-6-7-13(18-2)15(19-3)14(11)12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50118462 (2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-...) Show SMILES COc1ccc2CC(=C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1 |t:7| Show InChI InChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50118456 (CHEMBL334645 | N-[2-(6-Methoxy-3H-inden-1-yl)-ethy...) Show SMILES CCC(=O)NCCC1=CCc2ccc(OC)cc12 |t:7| Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50171483 (CHEMBL365501 | {3-[2-(Diphenyl-ethanesulfinyl)-eth...) Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12 Show InChI InChI=1S/C27H26O6S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)34(31)16-15-21-22-13-8-14-23(32-18-25(29)30)26(22)33-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50171472 (CHEMBL190840 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...) Show SMILES CC(SCCc1c(CCCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30O5S/c1-29(21-10-4-2-5-11-21,22-12-6-3-7-13-22)35-19-17-23-24-14-8-15-26(33-20-27(31)32)28(24)34-25(23)16-9-18-30/h2-8,10-15,30H,9,16-20H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50171474 (CHEMBL192662 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...) Show SMILES CC(SCCc1c(CCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28O5S/c1-28(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-18-16-22-23-13-8-14-25(32-19-26(30)31)27(23)33-24(22)15-17-29/h2-14,29H,15-19H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50171466 (CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...) Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 473 total )  |  Next  |  Last  >>

Jump to: