BDBM50049803 CHEMBL124015::Thiophene-2-carboxylic acid [2-(7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-amide
SMILES: CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12
InChI Key: InChIKey=JEZGMXQLYTYHBX-UHFFFAOYSA-N
Data: 10 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig | J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Siena Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand | J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig | J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity determined against Opioid receptor mu 1 from human cloned receptor | J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Siena Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain | J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity of compound was determined against Opioid receptor mu 1 from native receptor in guinea pig | J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 494 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity determined against Opioid receptor delta 1 from human cloned receptor | J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Siena Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain | J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity of compound was determined against Opioid receptor delta 1 from a native receptor in guinea pig | J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholecystokinin receptor (Homo sapiens (Human)) | BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Siena Curated by ChEMBL | Assay Description Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex. | J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD | |||||||||||
More data for this Ligand-Target Pair |