BDBM50120880 2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoylamino}-3-phenyl-propionyl)-methyl-amino]-propionic acid::CHEMBL358665

SMILES: C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O

InChI Key: InChIKey=XAXBWFXWCDCPOD-ZMVGRULKSA-N

Data: 3 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 3 hits for monomerid = 50120880   

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
Delta-type opioid receptor (MOUSE)	BDBM50120880 (2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...) Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Fine Chemical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord				J Med Chem 45: 5081-9 (2002) BindingDB Entry DOI: 10.7270/Q290233R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50120880 (2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...) Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Fine Chemical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Opioid receptor kappa 1 by the displacement of [3H]-U-69,593 in mouse spinal cord				J Med Chem 45: 5081-9 (2002) BindingDB Entry DOI: 10.7270/Q290233R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50120880 (2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...) Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Fine Chemical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord				J Med Chem 45: 5081-9 (2002) BindingDB Entry DOI: 10.7270/Q290233R
					More data for this Ligand-Target Pair