BDBM50063294 CHEMBL349980::Pyrimidin-2-yl-{4-[2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amine

SMILES: C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1

InChI Key: InChIKey=VFYMYMGVYBHBAW-IYARVYRRSA-N

Data: 3 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 3 hits for monomerid = 50063294   

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))	BDBM50063294 (CHEMBL349980 | Pyrimidin-2-yl-{4-[2-(4-pyrimidin-2...) Show SMILES C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.78,;12.28,-5.86,;16.19,-6.98,;17.01,-8.27,;18.55,-8.17,;19.24,-6.82,;18.39,-5.54,;16.87,-5.63,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.43,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)| Show InChI InChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)/t17-,18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50063294 (CHEMBL349980 | Pyrimidin-2-yl-{4-[2-(4-pyrimidin-2...) Show SMILES C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.78,;12.28,-5.86,;16.19,-6.98,;17.01,-8.27,;18.55,-8.17,;19.24,-6.82,;18.39,-5.54,;16.87,-5.63,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.43,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)| Show InChI InChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity determined by measuring its ability to displace [3H]-N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50063294 (CHEMBL349980 | Pyrimidin-2-yl-{4-[2-(4-pyrimidin-2...) Show SMILES C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.78,;12.28,-5.86,;16.19,-6.98,;17.01,-8.27,;18.55,-8.17,;19.24,-6.82,;18.39,-5.54,;16.87,-5.63,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.43,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)| Show InChI InChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells				J Med Chem 41: 760-71 (1998) Article DOI: 10.1021/jm9707378 BindingDB Entry DOI: 10.7270/Q20G3J97
					More data for this Ligand-Target Pair