BDBM50029110 CHEMBL3361423

SMILES: NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=JTMFELXZUJXDDO-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 = 50029110   

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
NPFF2 (Homo sapiens (Human))	BDBM50029110 (CHEMBL3361423) Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	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
Neuropeptide FF receptor 1 (Homo sapiens (Human))	BDBM50029110 (CHEMBL3361423) Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50029110 (CHEMBL3361423) Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.25E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50029110 (CHEMBL3361423) Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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]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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50029110 (CHEMBL3361423) Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
NPFF2 (Homo sapiens (Human))	BDBM50029110 (CHEMBL3361423) Show SMILES NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at human NPFF2 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