BDBM50028979 8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine::CHEMBL266723

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12

InChI Key: InChIKey=XQIPQCHREHNRDI-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50028979   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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))	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	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(4) dopamine receptor (Homo sapiens (Human))	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	140	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10E+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
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei				J Med Chem 24: 1021-6 (1981) BindingDB Entry DOI: 10.7270/Q2348NKF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50028979 (8-Chloro-5-methyl-11-(4-methyl-piperazin-1-yl)-5H-...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C)c2ccccc12 |t:8| Show InChI InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain				J Med Chem 24: 1021-6 (1981) BindingDB Entry DOI: 10.7270/Q2348NKF
					More data for this Ligand-Target Pair