BDBM50083287 Adamantane-1-carboxylic acid [2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl]-amide; Dihydrochloride::CHEMBL545793

SMILES: O=C(NCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=HPFLVTSWRFCPCV-IVRKQUHDSA-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 = 50083287   

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))	BDBM50083287 (Adamantane-1-carboxylic acid [2-(4-pyrimidin-2-yl-...) Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H31N5O/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)/t16-,17+,18-,21?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue				J Med Chem 42: 5077-94 (2000) BindingDB Entry DOI: 10.7270/Q2C82B0P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50083287 (Adamantane-1-carboxylic acid [2-(4-pyrimidin-2-yl-...) Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H31N5O/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)/t16-,17+,18-,21?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against rat limbic tissue Dopamine receptor D2				J Med Chem 42: 5077-94 (2000) BindingDB Entry DOI: 10.7270/Q2C82B0P
					More data for this Ligand-Target Pair