BDBM50131968 CHEMBL127828::Thiophene-3-carboxylic acid {2-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl]-ethyl}-amide

SMILES: CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12

InChI Key: InChIKey=AVUSYTRJVKZPGP-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50131968   

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))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	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 against opioid receptor kappa 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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	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 (GUINEA PIG)	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 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