Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50034110'   

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))	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrove; degli Studi di Milano Curated by PDSP Ki Database									Br J Pharmacol 124: 485-92 (1998) Article DOI: 10.1038/sj.bjp.0701860 BindingDB Entry DOI: 10.7270/Q29885KW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair				3D Structure (crystal)