BDBM50384058 CHEMBL2032451

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)NCC(=O)NCC(=O)NCCSC1CC(=O)N(CCC(=O)NCCOCCOCCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C1=O

InChI Key: InChIKey=ZZCGLDZYRQXSJC-GNDUPZHDSA-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 = 50384058   

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))	BDBM50384058 (CHEMBL2032451) 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)NCC(=O)NCC(=O)NCCSC1CC(=O)N(CCC(=O)NCCOCCOCCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C1=O |r| Show InChI InChI=1S/C64H89N13O15S/c1-42(2)35-49(75-63(89)50(37-45-13-7-4-8-14-45)74-60(86)47(66)36-44-11-5-3-6-12-44)62(88)73-48(15-9-10-25-65)61(87)71-41-56(82)70-40-55(81)69-39-54(80)68-27-34-93-51-38-59(85)77(64(51)90)28-22-52(78)67-26-31-92-33-32-91-30-24-53(79)72-46-19-16-43(17-20-46)18-21-57(83)76-29-23-58(76)84/h3-8,11-14,16-17,19-20,42,47-51H,9-10,15,18,21-41,65-66H2,1-2H3,(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,87)(H,72,79)(H,73,88)(H,74,86)(H,75,89)/t47-,48-,49-,50-,51?/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	176	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
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