BDBM50010591 11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine::CHEMBL73538

SMILES: CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12

InChI Key: InChIKey=VQHITFFJBFOMBG-UHFFFAOYSA-N

Data: 6 KI  8 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 14 hits for monomerid = 50010591   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity of the compound was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 3 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2C receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity of the compound was evaluated as inhibition constant for dopamine receptor D1 using [3H]-SCH- 23390 as radioligand				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated as inhibition constant for dopamine D-4 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated as inhibition constant for dopamine D-2 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	895	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding activity against dopamine D1 receptor in rat brain, using [3H]-SCH-23,390 as the radioligand				J Med Chem 32: 2261-8 (1989) BindingDB Entry DOI: 10.7270/Q27W6B5D
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	895	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain				J Med Chem 33: 809-14 (1990) BindingDB Entry DOI: 10.7270/Q2348JCH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity was determined against Muscarinic acetylcholine receptor using [3H]QNB as radioligand in rat brain.				J Med Chem 33: 809-14 (1990) BindingDB Entry DOI: 10.7270/Q2348JCH
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain				J Med Chem 25: 855-8 (1982) BindingDB Entry DOI: 10.7270/Q2N018R2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain				J Med Chem 25: 855-8 (1982) BindingDB Entry DOI: 10.7270/Q2N018R2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding activity against dopamine D2 receptor in rat brain, using [3H]-Spiperone as the radioligand				J Med Chem 32: 2261-8 (1989) BindingDB Entry DOI: 10.7270/Q27W6B5D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding activity against muscarinic receptor in rat brain using [3H]QNB as the radioligand				J Med Chem 32: 2261-8 (1989) BindingDB Entry DOI: 10.7270/Q27W6B5D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010591 (11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]d...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 using [3H]-spiperone in rat brain				J Med Chem 33: 809-14 (1990) BindingDB Entry DOI: 10.7270/Q2348JCH
					More data for this Ligand-Target Pair