BDBM50061559 CHEMBL72292::Trifluoro-methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-yl ester

SMILES: CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12

InChI Key: InChIKey=XKXPMSXRABANAG-UHFFFAOYSA-N

Data: 15 IC50

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 15 hits for monomerid = 50061559   

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
D(1A) dopamine receptor (RAT)	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibitory binding of [3H]-SCH-23,390 to Dopamine receptor D1 in membranes from rat corpus striatum				J Med Chem 40: 4146-53 (1998) Article DOI: 10.1021/jm9704457 BindingDB Entry DOI: 10.7270/Q2DV1J1D
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards D1 CNS receptor of rat corpus striatum using [3H]-SCH-23,390 as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibitory binding of [3H]-spiperone to Dopamine receptor D2 in membranes from rat corpus striatum				J Med Chem 40: 4146-53 (1998) Article DOI: 10.1021/jm9704457 BindingDB Entry DOI: 10.7270/Q2DV1J1D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibitory binding of [3H]-pirenzepine to human Muscarinic acetylcholine receptor M1 in membranes from CHO-K1 cells				J Med Chem 40: 4146-53 (1998) Article DOI: 10.1021/jm9704457 BindingDB Entry DOI: 10.7270/Q2DV1J1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor from rat brain				J Med Chem 40: 4146-53 (1998) Article DOI: 10.1021/jm9704457 BindingDB Entry DOI: 10.7270/Q2DV1J1D
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibitory binding of [3H]-mepyramine to histamine H1 receptors in rat brain membranes				J Med Chem 40: 4146-53 (1998) Article DOI: 10.1021/jm9704457 BindingDB Entry DOI: 10.7270/Q2DV1J1D
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 of rat corpus striatum using [3H]-spiperone as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards human D4.2 receptor				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Inhibition of binding of 1.0 nM [3H]-pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards histamine H1 receptor from rat brain membranes using [3H]-mepyramine as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radioligand				J Med Chem 42: 2235-44 (1999) Article DOI: 10.1021/jm991005d BindingDB Entry DOI: 10.7270/Q2KH0MH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50061559 (CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of [3H]-mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes				J Med Chem 40: 4146-53 (1998) Article DOI: 10.1021/jm9704457 BindingDB Entry DOI: 10.7270/Q2DV1J1D
					More data for this Ligand-Target Pair