BDBM50049382 (S)-3-[(1-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-cyclohexanecarbonyl)-amino]-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL163769

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=BAPCQJRIYSCLRO-HFQUQZICSA-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 = 50049382   

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))	BDBM50049382 ((S)-3-[(1-{(S)-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)C1(CCCCC1)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/C35H54N8O10/c1-18(2)27(32(51)38-17-25(37)45)42-33(52)28(19(3)4)41-31(50)24(16-26(46)47)40-34(53)35(13-7-6-8-14-35)43-29(48)20(5)39-30(49)23(36)15-21-9-11-22(44)12-10-21/h9-12,18-20,23-24,27-28,44H,6-8,13-17,36H2,1-5H3,(H2,37,45)(H,38,51)(H,39,49)(H,40,53)(H,41,50)(H,42,52)(H,43,48)(H,46,47)/t20-,23-,24-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE (0.63 nM) from Opioid receptor delta 1				J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50049382 ((S)-3-[(1-{(S)-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)C1(CCCCC1)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/C35H54N8O10/c1-18(2)27(32(51)38-17-25(37)45)42-33(52)28(19(3)4)41-31(50)24(16-26(46)47)40-34(53)35(13-7-6-8-14-35)43-29(48)20(5)39-30(49)23(36)15-21-9-11-22(44)12-10-21/h9-12,18-20,23-24,27-28,44H,6-8,13-17,36H2,1-5H3,(H2,37,45)(H,38,51)(H,39,49)(H,40,53)(H,41,50)(H,42,52)(H,43,48)(H,46,47)/t20-,23-,24-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DAGO (1.28 nM) from Opioid receptor mu 1				J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50049382 ((S)-3-[(1-{(S)-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)C1(CCCCC1)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/C35H54N8O10/c1-18(2)27(32(51)38-17-25(37)45)42-33(52)28(19(3)4)41-31(50)24(16-26(46)47)40-34(53)35(13-7-6-8-14-35)43-29(48)20(5)39-30(49)23(36)15-21-9-11-22(44)12-10-21/h9-12,18-20,23-24,27-28,44H,6-8,13-17,36H2,1-5H3,(H2,37,45)(H,38,51)(H,39,49)(H,40,53)(H,41,50)(H,42,52)(H,43,48)(H,46,47)/t20-,23-,24-,27-,28-/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	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD)				J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049382 ((S)-3-[(1-{(S)-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)C1(CCCCC1)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/C35H54N8O10/c1-18(2)27(32(51)38-17-25(37)45)42-33(52)28(19(3)4)41-31(50)24(16-26(46)47)40-34(53)35(13-7-6-8-14-35)43-29(48)20(5)39-30(49)23(36)15-21-9-11-22(44)12-10-21/h9-12,18-20,23-24,27-28,44H,6-8,13-17,36H2,1-5H3,(H2,37,45)(H,38,51)(H,39,49)(H,40,53)(H,41,50)(H,42,52)(H,43,48)(H,46,47)/t20-,23-,24-,27-,28-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity towards Opioid receptor mu 1 of guinea pig ileum (GPI)				J Med Chem 39: 773-80 (1996) Article DOI: 10.1021/jm950490j BindingDB Entry DOI: 10.7270/Q2QV3KKJ
					More data for this Ligand-Target Pair