Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 5154   

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))	BDBM50043287 (CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...) Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15BrN2O2/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 PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043287 (CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...) Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15BrN2O2/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 PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85236 (Melatonin,2-Chloro) Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15ClN2O2/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	PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85236 (Melatonin,2-Chloro) Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15ClN2O2/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	PC cid PC sid UniChem Patents	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					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 PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					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	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85238 (5-MeOT-N-butanyl) Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85238 (5-MeOT-N-butanyl) Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					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	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					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	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					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	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM85238 (5-MeOT-N-butanyl) Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85240 (5-MeOT-N-pentanyl) Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85241 (N-Acetyltryptamine,5-Benzyloxy) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C19H20N2O2/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85240 (5-MeOT-N-pentanyl) Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM85240 (5-MeOT-N-pentanyl) Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50066959 (CHEMBL284158 | N-Acetyltryptamine,5-Methyl | N-[2-...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(C)cc12 Show InChI InChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM85240 (5-MeOT-N-pentanyl) Show SMILES CCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85241 (N-Acetyltryptamine,5-Benzyloxy) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C19H20N2O2/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50066959 (CHEMBL284158 | N-Acetyltryptamine,5-Methyl | N-[2-...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(C)cc12 Show InChI InChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Chick)	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	773	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Xenopus)	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair