BDBM50081926 (S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-2-phenyl-ethyl)-1H-[1,2,4]triazol-3-ylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide::CHEMBL136078

SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1

InChI Key: InChIKey=XILSDICFUGMUKL-GVHXONKLSA-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 = 50081926   

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))	BDBM50081926 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1 Show InChI InChI=1S/C39H48N10O8/c1-22(42-36(55)28(40)18-24-9-13-26(51)14-10-24)35(54)43-29(19-23-6-3-2-4-7-23)34-46-39(48-47-34)45-30(20-25-11-15-27(52)16-12-25)38(57)49-17-5-8-32(49)37(56)44-31(21-50)33(41)53/h2-4,6-7,9-16,22,28-32,50-52H,5,8,17-21,40H2,1H3,(H2,41,53)(H,42,55)(H,43,54)(H,44,56)(H2,45,46,47,48)/t22-,28+,29+,30+,31+,32+/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))	BDBM50081926 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1 Show InChI InChI=1S/C39H48N10O8/c1-22(42-36(55)28(40)18-24-9-13-26(51)14-10-24)35(54)43-29(19-23-6-3-2-4-7-23)34-46-39(48-47-34)45-30(20-25-11-15-27(52)16-12-25)38(57)49-17-5-8-32(49)37(56)44-31(21-50)33(41)53/h2-4,6-7,9-16,22,28-32,50-52H,5,8,17-21,40H2,1H3,(H2,41,53)(H,42,55)(H,43,54)(H,44,56)(H2,45,46,47,48)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	490	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