BDBM50034245 (S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-(3H-imidazol-4-yl)-propionylamino]-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL21970

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=KPKLKHNZIHLGRE-YNTMFAKQSA-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 = 50034245   

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))	BDBM50034245 ((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](Cc1cnc[nH]1)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/C34H50N10O10/c1-16(2)27(33(53)38-14-25(36)46)44-34(54)28(17(3)4)43-32(52)24(12-26(47)48)42-31(51)23(11-20-13-37-15-39-20)41-29(49)18(5)40-30(50)22(35)10-19-6-8-21(45)9-7-19/h6-9,13,15-18,22-24,27-28,45H,10-12,14,35H2,1-5H3,(H2,36,46)(H,37,39)(H,38,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,44,54)(H,47,48)/t18-,22-,23-,24-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	317	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50034245 ((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](Cc1cnc[nH]1)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/C34H50N10O10/c1-16(2)27(33(53)38-14-25(36)46)44-34(54)28(17(3)4)43-32(52)24(12-26(47)48)42-31(51)23(11-20-13-37-15-39-20)41-29(49)18(5)40-30(50)22(35)10-19-6-8-21(45)9-7-19/h6-9,13,15-18,22-24,27-28,45H,10-12,14,35H2,1-5H3,(H2,36,46)(H,37,39)(H,38,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,44,54)(H,47,48)/t18-,22-,23-,24-,27-,28-/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
Mu-type opioid receptor (GUINEA PIG)	BDBM50034245 ((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](Cc1cnc[nH]1)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/C34H50N10O10/c1-16(2)27(33(53)38-14-25(36)46)44-34(54)28(17(3)4)43-32(52)24(12-26(47)48)42-31(51)23(11-20-13-37-15-39-20)41-29(49)18(5)40-30(50)22(35)10-19-6-8-21(45)9-7-19/h6-9,13,15-18,22-24,27-28,45H,10-12,14,35H2,1-5H3,(H2,36,46)(H,37,39)(H,38,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,44,54)(H,47,48)/t18-,22-,23-,24-,27-,28-/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