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SMILES: FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=SIINLBKMJGQYNO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 433500   

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 1A (Homo sapiens (Human))	BDBM433500 (US10562853, Compound 17) Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433500 (US10562853, Compound 17) Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NEUROLIXIS; UNIVERSITE JAGELLONE US Patent					Assay Description 5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...				US Patent US10562853 (2020) BindingDB Entry DOI: 10.7270/Q29Z979D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM433500 (US10562853, Compound 17) Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM433500 (US10562853, Compound 17) Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NEUROLIXIS; UNIVERSITE JAGELLONE US Patent					Assay Description Alpha1-adrenergic Receptor: Radioligand binding was performed using tissue (rat cortex). All assays were carried out in duplicates. 50 μL workin...				US Patent US10562853 (2020) BindingDB Entry DOI: 10.7270/Q29Z979D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM433500 (US10562853, Compound 17) Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM433500 (US10562853, Compound 17) Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NEUROLIXIS; UNIVERSITE JAGELLONE US Patent					Assay Description D2 Dopamine Receptor:Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human D2 receptor. All assays we...				US Patent US10562853 (2020) BindingDB Entry DOI: 10.7270/Q29Z979D
					More data for this Ligand-Target Pair