BDBM50049802 4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide::CHEMBL127463

SMILES: CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12

InChI Key: InChIKey=AESATWJIMVTHFR-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 = 50049802   

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))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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 (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	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))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	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)	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	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