BDBM50049381 (S)-3-[(1-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-cyclopentanecarbonyl)-amino]-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL351078

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=ZSAWKUOVPFYVFS-CQGITTKDSA-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 = 50049381   

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))	BDBM50049381 ((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(CCCC1)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/C34H52N8O10/c1-17(2)26(31(50)37-16-24(36)44)41-32(51)27(18(3)4)40-30(49)23(15-25(45)46)39-33(52)34(12-6-7-13-34)42-28(47)19(5)38-29(48)22(35)14-20-8-10-21(43)11-9-20/h8-11,17-19,22-23,26-27,43H,6-7,12-16,35H2,1-5H3,(H2,36,44)(H,37,50)(H,38,48)(H,39,52)(H,40,49)(H,41,51)(H,42,47)(H,45,46)/t19-,22-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.4	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))	BDBM50049381 ((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(CCCC1)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/C34H52N8O10/c1-17(2)26(31(50)37-16-24(36)44)41-32(51)27(18(3)4)40-30(49)23(15-25(45)46)39-33(52)34(12-6-7-13-34)42-28(47)19(5)38-29(48)22(35)14-20-8-10-21(43)11-9-20/h8-11,17-19,22-23,26-27,43H,6-7,12-16,35H2,1-5H3,(H2,36,44)(H,37,50)(H,38,48)(H,39,52)(H,40,49)(H,41,51)(H,42,47)(H,45,46)/t19-,22-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.82E+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)	BDBM50049381 ((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(CCCC1)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/C34H52N8O10/c1-17(2)26(31(50)37-16-24(36)44)41-32(51)27(18(3)4)40-30(49)23(15-25(45)46)39-33(52)34(12-6-7-13-34)42-28(47)19(5)38-29(48)22(35)14-20-8-10-21(43)11-9-20/h8-11,17-19,22-23,26-27,43H,6-7,12-16,35H2,1-5H3,(H2,36,44)(H,37,50)(H,38,48)(H,39,52)(H,40,49)(H,41,51)(H,42,47)(H,45,46)/t19-,22-,23-,26-,27-/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	1.64E+3	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)	BDBM50049381 ((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(CCCC1)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/C34H52N8O10/c1-17(2)26(31(50)37-16-24(36)44)41-32(51)27(18(3)4)40-30(49)23(15-25(45)46)39-33(52)34(12-6-7-13-34)42-28(47)19(5)38-29(48)22(35)14-20-8-10-21(43)11-9-20/h8-11,17-19,22-23,26-27,43H,6-7,12-16,35H2,1-5H3,(H2,36,44)(H,37,50)(H,38,48)(H,39,52)(H,40,49)(H,41,51)(H,42,47)(H,45,46)/t19-,22-,23-,26-,27-/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