Compile Data Set for Download or QSAR

Found 1170 hits with Last Name = 'rami' 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 1B (Homo sapiens (Human))	BDBM50230960 (CHEMBL4089965) Show SMILES COc1ccc2cccc(CCC(=O)NS(C)(=O)=O)c2n1 Show InChI InChI=1S/C14H16N2O4S/c1-20-13-9-7-11-5-3-4-10(14(11)15-13)6-8-12(17)16-21(2,18)19/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230959 (CHEMBL4084612) Show SMILES CNC(=O)NCCc1cccc2ccc(OC)nc12 Show InChI InChI=1S/C14H17N3O2/c1-15-14(18)16-9-8-11-5-3-4-10-6-7-12(19-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230961 (CHEMBL4062947) Show SMILES CCNC(=O)NCCc1cccc2ccc(OC)nc12 Show InChI InChI=1S/C15H19N3O2/c1-3-16-15(19)17-10-9-12-6-4-5-11-7-8-13(20-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230951 (CHEMBL4095210) Show SMILES CNC(=S)NCCc1cccc2ccc(OC)nc12 Show InChI InChI=1S/C14H17N3OS/c1-15-14(19)16-9-8-11-5-3-4-10-6-7-12(18-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464420 (CHEMBL4290302) Show SMILES CCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C18H22N2O2/c1-3-19-18(21)20-11-14-7-6-13-5-4-12-8-9-15(22-2)10-16(12)17(13)14/h4-5,8-10,14H,3,6-7,11H2,1-2H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464415 (CHEMBL4278575) Show SMILES COc1ccc2ccc3CCC(CNC(N)=O)c3c2c1 Show InChI InChI=1S/C16H18N2O2/c1-20-13-7-6-10-2-3-11-4-5-12(9-18-16(17)19)15(11)14(10)8-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464412 (CHEMBL4278248) Show SMILES COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1 Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-18(2)9-8-14-5-4-13-6-7-15(21-3)10-16(13)17(14)18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464407 (CHEMBL4292336) Show SMILES COCC(=O)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C18H21NO3/c1-21-11-17(20)19-10-14-6-5-13-4-3-12-7-8-15(22-2)9-16(12)18(13)14/h3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464406 (CHEMBL4280601) Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464412 (CHEMBL4278248) Show SMILES COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1 Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-18(2)9-8-14-5-4-13-6-7-15(21-3)10-16(13)17(14)18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					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 PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007568 (1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...) Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464402 (CHEMBL4279639) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2O2/c1-18-17(20)19-10-13-6-5-12-4-3-11-7-8-14(21-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464409 (CHEMBL4283539) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12 Show InChI InChI=1S/C16H19N3O2/c1-17-16(20)18-9-12-6-4-10-3-5-11-7-8-13(21-2)19-15(11)14(10)12/h3,5,7-8,12H,4,6,9H2,1-2H3,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464414 (CHEMBL4288497) Show SMILES COc1ccc2ccc3CCC(C)(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C17H21NO3S/c1-17(11-18-22(3,19)20)9-8-13-5-4-12-6-7-14(21-2)10-15(12)16(13)17/h4-7,10,18H,8-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464402 (CHEMBL4279639) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2O2/c1-18-17(20)19-10-13-6-5-12-4-3-11-7-8-14(21-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464413 (CHEMBL4281712) Show SMILES COc1ccc2ccc3CCC(CNC(C)=O)c3c2n1 Show InChI InChI=1S/C16H18N2O2/c1-10(19)17-9-13-6-4-11-3-5-12-7-8-14(20-2)18-16(12)15(11)13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464403 (CHEMBL4294790) Show SMILES CCCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C19H24N2O2/c1-3-10-20-19(22)21-12-15-7-6-14-5-4-13-8-9-16(23-2)11-17(13)18(14)15/h4-5,8-9,11,15H,3,6-7,10,12H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464411 (CHEMBL4291381) Show SMILES CCCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C20H26N2O2/c1-4-11-21-19(23)22-13-20(2)10-9-15-6-5-14-7-8-16(24-3)12-17(14)18(15)20/h5-8,12H,4,9-11,13H2,1-3H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464417 (CHEMBL4280791) Show SMILES CNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C18H22N2OS/c1-18(11-20-17(22)19-2)9-8-13-5-4-12-6-7-14(21-3)10-15(12)16(13)18/h4-7,10H,8-9,11H2,1-3H3,(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230955 (CHEMBL4102177) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230958 (CHEMBL4071572) Show SMILES COc1ccc2cccc(CCNC(N)=O)c2n1 Show InChI InChI=1S/C13H15N3O2/c1-18-11-6-5-9-3-2-4-10(12(9)16-11)7-8-15-13(14)17/h2-6H,7-8H2,1H3,(H3,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464400 (CHEMBL4293386) Show SMILES COc1ccc2ccc3CCC(CNC(C)=O)c3c2c1 Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-6-5-13-4-3-12-7-8-15(20-2)9-16(12)17(13)14/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50007568 (1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...) Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50122815 (1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464418 (CHEMBL4284223) Show SMILES CCCNC(=S)NCC1(C)CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C20H26N2OS/c1-4-11-21-19(24)22-13-20(2)10-9-15-6-5-14-7-8-16(23-3)12-17(14)18(15)20/h5-8,12H,4,9-11,13H2,1-3H3,(H2,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464421 (CHEMBL4286896) Show SMILES CCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C19H24N2O2/c1-4-20-18(22)21-12-19(2)10-9-14-6-5-13-7-8-15(23-3)11-16(13)17(14)19/h5-8,11H,4,9-10,12H2,1-3H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50230955 (CHEMBL4102177) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230957 (CHEMBL4082097) Show SMILES COC(=O)NCCc1cccc2ccc(OC)nc12 Show InChI InChI=1S/C14H16N2O3/c1-18-12-7-6-10-4-3-5-11(13(10)16-12)8-9-15-14(17)19-2/h3-7H,8-9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230956 (CHEMBL4079784) Show SMILES CNC(=O)CCc1cccc2ccc(OC)nc12 Show InChI InChI=1S/C14H16N2O2/c1-15-12(17)8-6-10-4-3-5-11-7-9-13(18-2)16-14(10)11/h3-5,7,9H,6,8H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112208 (CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...) Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464415 (CHEMBL4278575) Show SMILES COc1ccc2ccc3CCC(CNC(N)=O)c3c2c1 Show InChI InChI=1S/C16H18N2O2/c1-20-13-7-6-10-2-3-11-4-5-12(9-18-16(17)19)15(11)14(10)8-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230965 (CHEMBL4061905) Show SMILES COc1ccc2cccc(CCC(=O)NCCF)c2n1 Show InChI InChI=1S/C15H17FN2O2/c1-20-14-8-6-12-4-2-3-11(15(12)18-14)5-7-13(19)17-10-9-16/h2-4,6,8H,5,7,9-10H2,1H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464400 (CHEMBL4293386) Show SMILES COc1ccc2ccc3CCC(CNC(C)=O)c3c2c1 Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-6-5-13-4-3-12-7-8-15(20-2)9-16(12)17(13)14/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					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	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50122813 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50001786 (1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50122817 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H30FN7O2/c1-37-20-34-30(36-37)22-6-11-29-26(18-22)27(19-40(29)24-9-7-23(33)8-10-24)21-12-14-38(15-13-21)16-17-39-31(41)25-4-2-3-5-28(25)35-32(39)42/h2-11,18-21H,12-17H2,1H3,(H,35,42)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464408 (CHEMBL4285145) Show SMILES COC(=O)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H19NO3/c1-20-14-8-7-11-3-4-12-5-6-13(10-18-17(19)21-2)16(12)15(11)9-14/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464413 (CHEMBL4281712) Show SMILES COc1ccc2ccc3CCC(CNC(C)=O)c3c2n1 Show InChI InChI=1S/C16H18N2O2/c1-10(19)17-9-13-6-4-11-3-5-12-7-8-14(20-2)18-16(12)15(11)13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50464416 (CHEMBL4289115) Show SMILES COc1ccc2ccc3CCC(CNC(N)=S)c3c2c1 Show InChI InChI=1S/C16H18N2OS/c1-19-13-7-6-10-2-3-11-4-5-12(9-18-16(17)20)15(11)14(10)8-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair

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