BDBM50368656 CHEMBL1204307::CHEMBL1744111

SMILES: Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12

InChI Key: InChIKey=PBFXTDGYIRQFSK-UHFFFAOYSA-N

Data: 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 8 hits for monomerid = 50368656   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50368656 (CHEMBL1204307 | CHEMBL1744111) Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCN3CCCNC3=S)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C25H30F2N4S/c26-19-4-2-18(3-5-19)22-17-24(21-7-6-20(27)16-23(21)22)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes				J Med Chem 36: 2761-70 (1993) BindingDB Entry DOI: 10.7270/Q2B858RJ
					More data for this Ligand-Target Pair