BDBM50528960 CHEMBL4450250

SMILES: C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccccc1

InChI Key: InChIKey=JPZJRCXPCGZJCY-JWWBBJFQSA-N

Data: 1 KI  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 2 hits for monomerid = 50528960   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50528960 (CHEMBL4450250) Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C36H42N6O5/c1-20-15-26(43)16-21(2)28(20)18-29(37)36(47)42(5)23(4)34(45)40-31(17-25-19-39-30-14-10-9-13-27(25)30)35(46)41-32(22(3)33(38)44)24-11-7-6-8-12-24/h6-16,19,23,29,31-32,39,43H,3,17-18,37H2,1-2,4-5H3,(H2,38,44)(H,40,45)(H,41,46)/t23-,29?,31+,32?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50528960 (CHEMBL4450250) Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C36H42N6O5/c1-20-15-26(43)16-21(2)28(20)18-29(37)36(47)42(5)23(4)34(45)40-31(17-25-19-39-30-14-10-9-13-27(25)30)35(46)41-32(22(3)33(38)44)24-11-7-6-8-12-24/h6-16,19,23,29,31-32,39,43H,3,17-18,37H2,1-2,4-5H3,(H2,38,44)(H,40,45)(H,41,46)/t23-,29?,31+,32?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00177	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701
					More data for this Ligand-Target Pair