BDBM50384055 CHEMBL2032448

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)NCCSc1cc(O)n(c1O)-c1ccc(CCC(=O)N2CCC2=O)cc1

InChI Key: InChIKey=XFBDGDTWYSMOID-JUFVCXMFSA-N

Data: 1 EC50

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 1 hit for monomerid = 50384055   

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))	BDBM50384055 (CHEMBL2032448) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)NCCSc1cc(O)n(c1O)-c1ccc(CCC(=O)N2CCC2=O)cc1 |r| Show InChI InChI=1S/C50H65N9O9S/c1-32(2)27-39(57-49(67)40(29-35-13-7-4-8-14-35)56-46(64)37(52)28-34-11-5-3-6-12-34)48(66)55-38(15-9-10-23-51)47(65)54-31-42(60)53-24-26-69-41-30-45(63)59(50(41)68)36-19-16-33(17-20-36)18-21-43(61)58-25-22-44(58)62/h3-8,11-14,16-17,19-20,30,32,37-40,63,68H,9-10,15,18,21-29,31,51-52H2,1-2H3,(H,53,60)(H,54,65)(H,55,66)(H,56,64)(H,57,67)/t37-,38-,39-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant kappa opioid receptor expressed in human U2OS cells coexpressing beta arrestin/EA complex assessed as beta arrestin r...				Bioorg Med Chem Lett 22: 4173-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.040 BindingDB Entry DOI: 10.7270/Q2251K62
					More data for this Ligand-Target Pair