BDBM466570 US10800755, Example 24

SMILES: Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1

InChI Key: InChIKey=NNKUZJKXZYNHAK-UHFFFAOYSA-N

Data: 3 KI  3 IC50  2 EC50

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 = 466570   

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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.38E+3	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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	32	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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.38E+3	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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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))	BDBM466570 (US10800755, Example 24 | US11014905, Example 24) Show SMILES Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-14-4-2-5-16(20-14)15-7-10-21(11-8-15)12-9-19-18(22)17-6-3-13-23-17/h2,4-5,15,17H,3,6-13H2,1H3,(H,19,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	67	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