BDBM21136 (3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid::CCK-Opioid Peptide, 6::CHEMBL336381::Tyr-Gly-Gly-Trp-NMeNle-Asp-Phe-NH2
SMILES: CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=KSAGKPZDJHLHBS-AWSJBNSNSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor was determined | J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 49: 2868-75 (2006) Article DOI: 10.1021/jm050921q BindingDB Entry DOI: 10.7270/Q24Q7S99 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 85 | -9.64 | n/a | n/a | 76 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 49: 2868-75 (2006) Article DOI: 10.1021/jm050921q BindingDB Entry DOI: 10.7270/Q24Q7S99 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 240 | -9.02 | n/a | n/a | 2 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 49: 2868-75 (2006) Article DOI: 10.1021/jm050921q BindingDB Entry DOI: 10.7270/Q24Q7S99 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand | J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor was determined | J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by ChEMBL | Assay Description Binding affinity towards Opioid receptor delta 1 was determined | J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM21136 ((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona at Tucson | Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... | J Med Chem 49: 2868-75 (2006) Article DOI: 10.1021/jm050921q BindingDB Entry DOI: 10.7270/Q24Q7S99 | |||||||||||
More data for this Ligand-Target Pair |