BDBM50340325 CHEMBL1760945::N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide

SMILES: COc1ccc2ccn(CCNC(C)=O)c2n1

InChI Key: InChIKey=GPYJQMJXDIABBK-UHFFFAOYSA-N

Data: 4 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50340325   

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 (Homo sapiens (Human))	BDBM50340325 (CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Agonist activity at MT2 receptor (unknown origin) expressed in HEK293 cells by [35S]GTPgamma binding assay				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340325 (CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340325 (CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340325 (CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Agonist activity at MT1 receptor (unknown origin) expressed in HEK293 cells by [35S]GTPgamma binding assay				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340325 (CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340325 (CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair