BDBM433554 US10562853, Compound 74

SMILES: FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LBGPXUXLKXFCMK-UHFFFAOYSA-N

Data: 3 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 10 hits for monomerid = 433554   

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))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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
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Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	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
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.871	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433554 (US10562853, Compound 74) Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	174	n/a	n/a	n/a	n/a
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