BDBM50028599 1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-methyl-piperazine::CHEMBL275696

SMILES: CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12

InChI Key: InChIKey=VYHUCPCVCHMNCC-UHFFFAOYSA-N

Data: 6 KI  4 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 10 hits for monomerid = 50028599   

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))	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 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 receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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 by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2C recept...				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)	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 by inhibition of [3H]-GR-65,630 binding to NG108-15 cell transfected with cloned rat 5-hydroxytryptamine 3 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))	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	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 by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-2(long) 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 (Rattus norvegicus (rat))	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	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 In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+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 by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 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...)	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	342	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
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	342	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)	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	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
Muscarinic acetylcholine receptor (RAT)	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	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