BDBM50038405 (4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid::CHEMBL343342

SMILES: CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O

InChI Key: InChIKey=ZATPZTVNZBDUOD-OOYIDZMOSA-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 = 50038405   

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 (MOUSE)	BDBM50038405 ((4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phe...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE				J Med Chem 37: 4371-83 (1995) BindingDB Entry DOI: 10.7270/Q2CZ3660
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50038405 ((4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phe...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22+,23-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor of guinea pig brain membrane				J Med Chem 37: 4371-83 (1995) BindingDB Entry DOI: 10.7270/Q2CZ3660
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50038405 ((4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phe...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against delta opioid receptor in mouse vas deferens assay				J Med Chem 37: 4371-83 (1995) BindingDB Entry DOI: 10.7270/Q2CZ3660
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50038405 ((4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phe...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22+,23-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mu opioid receptor in guinea pig ileum assay				J Med Chem 37: 4371-83 (1995) BindingDB Entry DOI: 10.7270/Q2CZ3660
					More data for this Ligand-Target Pair