BDBM50057011 (S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-N-{(1S,2S)-1-[(1S,2S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butyl}-succinamic acid::CHEMBL433978
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
InChI Key: InChIKey=WNVWQEYGDYDQLY-WGTDLESSSA-N
Data: 5 KI
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)) | BDBM50057011 ((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain | J Med Chem 40: 990-5 (1997) Article DOI: 10.1021/jm9602726 BindingDB Entry DOI: 10.7270/Q2RR1XCH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50057011 ((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.153 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1 | J Med Chem 40: 990-5 (1997) Article DOI: 10.1021/jm9602726 BindingDB Entry DOI: 10.7270/Q2RR1XCH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50057011 ((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain | J Med Chem 40: 990-5 (1997) Article DOI: 10.1021/jm9602726 BindingDB Entry DOI: 10.7270/Q2RR1XCH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50057011 ((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description The binding affinity of the compound was measured using [3H]- DAGO against Opioid receptor mu 1 of rat brain | J Med Chem 40: 990-5 (1997) Article DOI: 10.1021/jm9602726 BindingDB Entry DOI: 10.7270/Q2RR1XCH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50057011 ((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description The binding affinity of the compound was measured using [3H]- U-69593 against Opioid receptor kappa 1 of rat brain | J Med Chem 40: 990-5 (1997) Article DOI: 10.1021/jm9602726 BindingDB Entry DOI: 10.7270/Q2RR1XCH | |||||||||||
More data for this Ligand-Target Pair |