BDBM50010547 2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4-hydroxy-phenyl)-2-methylamino-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionyl]-methyl-amino}-4-methyl-pentanoylamino)-pentanoylamino]-pentanoylamino}-4-methyl-pentanoic acid amide::CHEMBL216351

SMILES: CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=WZOGXQPCETVHOV-WRQFUQGOSA-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 = 50010547   

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))	BDBM50010547 (2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)33(14-10-20-55-47(50)51)60-43(69)34(15-11-21-56-48(52)53)61-45(71)38(23-29(3)4)63(6)46(72)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010547 (2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)33(14-10-20-55-47(50)51)60-43(69)34(15-11-21-56-48(52)53)61-45(71)38(23-29(3)4)63(6)46(72)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010547 (2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)33(14-10-20-55-47(50)51)60-43(69)34(15-11-21-56-48(52)53)61-45(71)38(23-29(3)4)63(6)46(72)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair