null

SMILES: COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50598933   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.417	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	148	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.257	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50598933 (CHEMBL5174929) Show SMILES COc1ccc2n(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)cc(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00717 BindingDB Entry DOI: 10.7270/Q2Z323P9
					More data for this Ligand-Target Pair