BDBM50264573 CHEMBL4067922

SMILES: COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1

InChI Key: InChIKey=PNCDIWXIHLRKGG-UHFFFAOYSA-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 = 50264573   

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))	BDBM50264573 (CHEMBL4067922) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60E+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]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264573 (CHEMBL4067922) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article 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 recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50264573 (CHEMBL4067922) Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article 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]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair