BindingDB PrimarySearch

BDBM50143272 6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoylamino)-3-cyclohexyl-propionylamino]-5-oxo-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid {(R)-1-[1-carbamoyl-2-(4-chloro-phenyl)-ethylcarbamoyl]-4-guanidino-butyl}-amide::CHEMBL3144471

SMILES: [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O

InChI Key: InChIKey=TVMPRXGFXMXJRH-GEOURJORSA-N

Data: 4 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50143272
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nociceptin receptor (Homo sapiens (Human))	BDBM50143272 (6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells				J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81
Vrije Universiteit Brussel Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50143272 (6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells				J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81
Vrije Universiteit Brussel Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50143272 (6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells				J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81
Vrije Universiteit Brussel Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50143272 (6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cells				J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81
Vrije Universiteit Brussel Curated by ChEMBL					More data for this Ligand-Target Pair