BDBM50398705 CHEMBL2178728

SMILES: CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=NBEMUGODFOHIFQ-CVEARBPZSA-N

Data: 3 KI

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 = 50398705   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50398705 (CHEMBL2178728) Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting				J Med Chem 55: 10292-6 (2012) Article DOI: 10.1021/jm301213s BindingDB Entry DOI: 10.7270/Q29024ZC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50398705 (CHEMBL2178728) Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting				J Med Chem 55: 10292-6 (2012) Article DOI: 10.1021/jm301213s BindingDB Entry DOI: 10.7270/Q29024ZC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50398705 (CHEMBL2178728) Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting				J Med Chem 55: 10292-6 (2012) Article DOI: 10.1021/jm301213s BindingDB Entry DOI: 10.7270/Q29024ZC
					More data for this Ligand-Target Pair