BDBM50159339 CHEMBL3786841

SMILES: COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1

InChI Key: InChIKey=LXEBBSCEMHHDNI-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50159339   

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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50159339 (CHEMBL3786841) Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins...				J Med Chem 59: 2497-511 (2016) BindingDB Entry DOI: 10.7270/Q23R0VSS
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Mus musculus)	BDBM50159339 (CHEMBL3786841) Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis				J Med Chem 59: 2497-511 (2016) BindingDB Entry DOI: 10.7270/Q23R0VSS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50159339 (CHEMBL3786841) Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by IonWork assay				J Med Chem 59: 2497-511 (2016) BindingDB Entry DOI: 10.7270/Q23R0VSS
					More data for this Ligand-Target Pair