BDBM50034249 (S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-p-tolyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL21623

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)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=ZHROATGUFVHNPC-LJXGPVSSSA-N

Data: 3 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 3 hits for monomerid = 50034249   

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 (Homo sapiens (Human))	BDBM50034249 ((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)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/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Michigan University Curated by ChEMBL					Assay Description Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain				J Med Chem 38: 1242-6 (1995) BindingDB Entry DOI: 10.7270/Q21835J2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50034249 ((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)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/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Michigan University Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain				J Med Chem 38: 1242-6 (1995) BindingDB Entry DOI: 10.7270/Q21835J2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50034249 ((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)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/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Michigan University Curated by ChEMBL					Assay Description Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain				J Med Chem 38: 1242-6 (1995) BindingDB Entry DOI: 10.7270/Q21835J2
					More data for this Ligand-Target Pair