BDBM50108693 1'-(2,4-difluorophenethyl)-5-fluorospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]::CHEMBL147164

SMILES: Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1

InChI Key: InChIKey=PCWXMSHXEKJUAY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50108693   

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))	BDBM50108693 (1'-(2,4-difluorophenethyl)-5-fluorospiro[3,4-dihyd...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1 Show InChI InChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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 Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108693 (1'-(2,4-difluorophenethyl)-5-fluorospiro[3,4-dihyd...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1 Show InChI InChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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 Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108693 (1'-(2,4-difluorophenethyl)-5-fluorospiro[3,4-dihyd...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1 Show InChI InChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	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 Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50108693 (1'-(2,4-difluorophenethyl)-5-fluorospiro[3,4-dihyd...) Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2c(F)cccc2O3)c(F)c1 Show InChI InChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	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 Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) receptors stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
					More data for this Ligand-Target Pair