BDBM50451119 CHEMBL2115427

SMILES: Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1

InChI Key: InChIKey=ZHBMQILIPHSQJF-RPBOFIJWSA-N

Data: 2 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 2 hits for monomerid = 50451119   

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))	BDBM50451119 (CHEMBL2115427) Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50451119 (CHEMBL2115427) Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair