BDBM50029109 CHEMBL3361419

SMILES: COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1

InChI Key: InChIKey=ADVZHMYYGIKXKT-UHFFFAOYSA-N

Data: 5 KI  1 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 = 50029109   

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
Neuropeptide FF receptor 1 (Homo sapiens (Human))	BDBM50029109 (CHEMBL3361419) Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1 Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis				J Med Chem 57: 8903-27 (2014) Article DOI: 10.1021/jm500989n BindingDB Entry DOI: 10.7270/Q2C24Z18
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50029109 (CHEMBL3361419) Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1 Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	688	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis				J Med Chem 57: 8903-27 (2014) Article DOI: 10.1021/jm500989n BindingDB Entry DOI: 10.7270/Q2C24Z18
					More data for this Ligand-Target Pair
NPFF2 (Homo sapiens (Human))	BDBM50029109 (CHEMBL3361419) Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1 Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	987	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis				J Med Chem 57: 8903-27 (2014) Article DOI: 10.1021/jm500989n BindingDB Entry DOI: 10.7270/Q2C24Z18
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50029109 (CHEMBL3361419) Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1 Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis				J Med Chem 57: 8903-27 (2014) Article DOI: 10.1021/jm500989n BindingDB Entry DOI: 10.7270/Q2C24Z18
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50029109 (CHEMBL3361419) Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1 Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in HEK293 cells after 60 mins by scintillation counting analysis				J Med Chem 57: 8903-27 (2014) Article DOI: 10.1021/jm500989n BindingDB Entry DOI: 10.7270/Q2C24Z18
					More data for this Ligand-Target Pair
Neuropeptide FF receptor 1 (Homo sapiens (Human))	BDBM50029109 (CHEMBL3361419) Show SMILES COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1 Show InChI InChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at human NPFF1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation by liquid...				J Med Chem 57: 8903-27 (2014) Article DOI: 10.1021/jm500989n BindingDB Entry DOI: 10.7270/Q2C24Z18
					More data for this Ligand-Target Pair