BDBM50384954 CHEMBL2037521

SMILES: C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=LOWWSZHAZVDMAY-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50384954   

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
Dopamine receptor (RAT)	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting				Eur J Med Chem 53: 124-32 (2012) Article DOI: 10.1016/j.ejmech.2012.03.042 BindingDB Entry DOI: 10.7270/Q2PN96NS
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assay				Bioorg Med Chem 22: 3105-14 (2014) Article DOI: 10.1016/j.bmc.2014.04.026 BindingDB Entry DOI: 10.7270/Q25140RW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting				Eur J Med Chem 53: 124-32 (2012) Article DOI: 10.1016/j.ejmech.2012.03.042 BindingDB Entry DOI: 10.7270/Q2PN96NS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting				Eur J Med Chem 53: 124-32 (2012) Article DOI: 10.1016/j.ejmech.2012.03.042 BindingDB Entry DOI: 10.7270/Q2PN96NS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay				Bioorg Med Chem 22: 3105-14 (2014) Article DOI: 10.1016/j.bmc.2014.04.026 BindingDB Entry DOI: 10.7270/Q25140RW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay				Bioorg Med Chem 22: 3105-14 (2014) Article DOI: 10.1016/j.bmc.2014.04.026 BindingDB Entry DOI: 10.7270/Q25140RW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5HT2A receptor by liquid scintillation counting				Eur J Med Chem 53: 124-32 (2012) Article DOI: 10.1016/j.ejmech.2012.03.042 BindingDB Entry DOI: 10.7270/Q2PN96NS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation counting				Eur J Med Chem 53: 124-32 (2012) Article DOI: 10.1016/j.ejmech.2012.03.042 BindingDB Entry DOI: 10.7270/Q2PN96NS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50384954 (CHEMBL2037521) Show SMILES C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N5S/c1-2-7-17-16(6-1)22-18(25-17)8-3-4-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h1-2,5-7,9-10H,3-4,8,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor by radioligand displacement assay				Eur J Med Chem 53: 124-32 (2012) Article DOI: 10.1016/j.ejmech.2012.03.042 BindingDB Entry DOI: 10.7270/Q2PN96NS
					More data for this Ligand-Target Pair