BDBM50081927 (S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-2-phenyl-ethyl)-[1,3,4]oxadiazol-2-ylmethyl]-amino}-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide::CHEMBL342450

SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1

InChI Key: InChIKey=WKTYNOYIZIHAIV-VWGYHWLBSA-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 = 50081927   

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
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50081927 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1 Show InChI InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-48-47-34(58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081927 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1 Show InChI InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-48-47-34(58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair