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SMILES: Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1

InChI Key: InChIKey=JQHNICFXWDNWAO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 466545   

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 (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US11014905 (2021)
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US11014905 (2021)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US11014905 (2021)
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The activity of the present compound for inhibiting hERG channel was measured by whole-cell patch clamp method with auto patch clamp system, using CH...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33.5	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description Aequorin, Gα16 proteins, and each receptor were transiently expressed in CHO-K1 cell (Chinese hamster ovary), and seeded to 384-well plate. The ...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned b...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM466545 (US10800755, Example 3 | US11014905, Example 3) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1 Show InChI InChI=1S/C20H29N3O2/c1-14-3-2-4-18(22-14)15-7-10-23(11-8-15)12-9-21-20(24)17-13-16-5-6-19(17)25-16/h2-4,15-17,19H,5-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description Aequorin, Gα16 proteins, and each receptor were transiently expressed in CHO-K1 cell (Chinese hamster ovary), and seeded to 384-well plate. The ...				US Patent US10800755 (2020)
					More data for this Ligand-Target Pair