BDBM50542605 CHEMBL4648915

SMILES: COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1

InChI Key: InChIKey=DLQCQSHURGAKKI-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50542605   

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))	BDBM50542605 (CHEMBL4648915) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50542605 (CHEMBL4648915) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50542605 (CHEMBL4648915) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from human delta opiod receptor expressed in human HEK293 cells incubated for 60 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50542605 (CHEMBL4648915) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mu opiod receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding incubated for 4 ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50542605 (CHEMBL4648915) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human kappa opiod receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding incubated fo...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50542605 (CHEMBL4648915) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human delta opiod receptor expressed in human HEK293 cells assessed as inhibition of DPDPE-induced [35S]GTPgammaS binding incu...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair