BDBM50020116 4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl)-butyl]-4-aza-tricyclo[5.4.2.0*2,6*]tridec-12-ene-3,5-dione;Hydrochloride::CHEMBL412258

SMILES: Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1

InChI Key: InChIKey=LTHUIJKIRBJVAY-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 = 50020116   

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))	BDBM50020116 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1 |c:28,(24.8,-19.6,;24.8,-18.06,;26.15,-17.31,;26.15,-15.77,;24.83,-14.99,;23.51,-15.76,;23.49,-17.3,;22.17,-14.97,;20.83,-15.74,;19.52,-14.97,;19.52,-13.45,;18.2,-12.68,;16.86,-13.45,;15.53,-12.68,;14.2,-13.45,;12.88,-12.68,;12.69,-11.16,;13.85,-10.12,;11.21,-10.83,;10.42,-12.17,;8.88,-12.18,;8.11,-10.84,;6.77,-10.06,;7.54,-8.72,;8.88,-9.49,;10.44,-9.49,;9.11,-10.31,;10.2,-11.38,;11.44,-13.3,;11.15,-14.81,;20.85,-12.66,;22.17,-13.43,)| Show InChI InChI=1S/C24H32ClN5O2/c25-19-15-26-16-20(27-19)29-13-11-28(12-14-29)9-3-4-10-30-23(31)21-17-5-1-2-6-18(8-7-17)22(21)24(30)32/h7-8,15-18,21-22H,1-6,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	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 inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020116 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1 |c:28,(24.8,-19.6,;24.8,-18.06,;26.15,-17.31,;26.15,-15.77,;24.83,-14.99,;23.51,-15.76,;23.49,-17.3,;22.17,-14.97,;20.83,-15.74,;19.52,-14.97,;19.52,-13.45,;18.2,-12.68,;16.86,-13.45,;15.53,-12.68,;14.2,-13.45,;12.88,-12.68,;12.69,-11.16,;13.85,-10.12,;11.21,-10.83,;10.42,-12.17,;8.88,-12.18,;8.11,-10.84,;6.77,-10.06,;7.54,-8.72,;8.88,-9.49,;10.44,-9.49,;9.11,-10.31,;10.2,-11.38,;11.44,-13.3,;11.15,-14.81,;20.85,-12.66,;22.17,-13.43,)| Show InChI InChI=1S/C24H32ClN5O2/c25-19-15-26-16-20(27-19)29-13-11-28(12-14-29)9-3-4-10-30-23(31)21-17-5-1-2-6-18(8-7-17)22(21)24(30)32/h7-8,15-18,21-22H,1-6,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	345	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 inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair