BDBM50010531 2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-5-guanidino-pentanoylamino)-5-guanidino-pentanoylamino]-4-methyl-pentanoic acid amide::CHEMBL412324

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

InChI Key: InChIKey=AYOSEAIEHXRVMB-KHLMYIKTSA-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 = 50010531   

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))	BDBM50010531 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/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	46	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)	BDBM50010531 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90	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)	BDBM50010531 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/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	9.10	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