BDBM50050475 1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazol-5-yl]-piperidine::CHEMBL61195

SMILES: Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=BKCOTBJYDGSUFC-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 = 50050475   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D2 expressed in CHO cells				J Med Chem 39: 1943-5 (1996) Article DOI: 10.1021/jm960072u BindingDB Entry DOI: 10.7270/Q2H41QG0
					More data for this Ligand-Target Pair