BDBM433531 US10562853, Compound 52

SMILES: CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1

InChI Key: InChIKey=PHEGDBVVFIATGX-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 = 433531   

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))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	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
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt 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 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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	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
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.0741	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))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.112	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))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.0891	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))	BDBM433531 (US10562853, Compound 52) Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1 Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair