BDBM50001721 3-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-(4-chloro-phenyl)-propionylamino]-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL342209

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=HGZUVLTVMQYIIF-GPZFAZAFSA-N

Data: 2 KI

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 = 50001721   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50001721 (3-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H51ClN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE				J Med Chem 35: 4651-7 (1993) BindingDB Entry DOI: 10.7270/Q2M044BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001721 (3-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H51ClN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO				J Med Chem 35: 4651-7 (1993) BindingDB Entry DOI: 10.7270/Q2M044BV
					More data for this Ligand-Target Pair