BDBM50017431 4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyrazinyl]butyl}-5-sulfo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-3-one; Hydrochloride::CHEMBL552874

SMILES: Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1

InChI Key: InChIKey=JNAQYZUMZHXNRY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50017431   

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 (Rattus norvegicus (rat))	BDBM50017431 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)| Show InChI InChI=1S/C22H28ClN5O3S/c23-18-12-24-13-19(25-18)27-9-7-26(8-10-27)5-1-2-6-28-22(29)20-14-3-4-15(17-11-16(14)17)21(20)32(28,30)31/h3-4,12-17,20-21H,1-2,5-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 12 to 17				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017431 (4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)| Show InChI InChI=1S/C22H28ClN5O3S/c23-18-12-24-13-19(25-18)27-9-7-26(8-10-27)5-1-2-6-28-22(29)20-14-3-4-15(17-11-16(14)17)21(20)32(28,30)31/h3-4,12-17,20-21H,1-2,5-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair