BDBM50398701 CHEMBL2178732

SMILES: CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=NYDAOAOFRBMAPQ-VQTJNVASSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50398701   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50398701 (CHEMBL2178732) Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50398701 (CHEMBL2178732) Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50398701 (CHEMBL2178732) Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50398701 (CHEMBL2178732) Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP EIA				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