BDBM50059370 (S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL315225

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

InChI Key: InChIKey=HZFTWHZKERFIPD-YETVUXLRSA-N

Data: 2 KI  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 4 hits for monomerid = 50059370   

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))	BDBM50059370 ((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1				J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50059370 ((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1				J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50059370 ((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).				J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50059370 ((S)-3-((S)-2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C38H54N8O10/c1-20(2)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(18-29(49)50)42-33(52)26(17-22-10-8-7-9-11-22)43-37(56)38(5,6)46-32(51)25(39)16-23-12-14-24(47)15-13-23/h7-15,20-21,25-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t25-,26-,27-,30-,31-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI).				J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2
					More data for this Ligand-Target Pair