BDBM50029097 CHEMBL3361433

SMILES: NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=RGNAMSRVPXMXMY-UHFFFAOYSA-N

Data: 5 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 7 hits for monomerid = 50029097   

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))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	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))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.47E+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))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.61E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	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
Neuropeptide FF receptor 1 (Homo sapiens (Human))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Antagonist activity at human NPFF1 receptor expressed in CHO cells assessed as reversal of NPVF-induced inhibition of intracellular cAMP accumulation...				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))	BDBM50029097 (CHEMBL3361433) Show SMILES NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	645	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Antagonist activity at human NPFF2 receptor expressed in CHO cells assessed as reversal of 1DMe-induced inhibition of intracellular cAMP accumulation...				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