BDBM50340646 CHEMBL4159127

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O

InChI Key: InChIKey=GAOFEEYEHWWNII-FXBPSFAMSA-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 = 50340646   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50340646 (CHEMBL4159127) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r| Show InChI InChI=1S/C17H11ClN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80	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 kappa opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometry				J Med Chem 61: 5751-5757 (2018) Article DOI: 10.1021/acs.jmedchem.8b00296 BindingDB Entry DOI: 10.7270/Q2NV9MTR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50340646 (CHEMBL4159127) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r| Show InChI InChI=1S/C17H11ClN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 mu opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometry				J Med Chem 61: 5751-5757 (2018) Article DOI: 10.1021/acs.jmedchem.8b00296 BindingDB Entry DOI: 10.7270/Q2NV9MTR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50340646 (CHEMBL4159127) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r| Show InChI InChI=1S/C17H11ClN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 delta opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometr...				J Med Chem 61: 5751-5757 (2018) Article DOI: 10.1021/acs.jmedchem.8b00296 BindingDB Entry DOI: 10.7270/Q2NV9MTR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50340646 (CHEMBL4159127) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r| Show InChI InChI=1S/C17H11ClN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 assessed as inhibition forskolin-induced cAMP accumulation after 15 mins by EIA				J Med Chem 61: 5751-5757 (2018) Article DOI: 10.1021/acs.jmedchem.8b00296 BindingDB Entry DOI: 10.7270/Q2NV9MTR
					More data for this Ligand-Target Pair