BDBM50063276 CHEMBL164604::{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-cyclohexyl}-pyrimidin-2-yl-amine

SMILES: C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1

InChI Key: InChIKey=BDHDIEVXYUODTG-XYWHTSSQSA-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 = 50063276   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50063276 (CHEMBL164604 | {4-[2-(4-Phenyl-3,6-dihydro-2H-pyri...) Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)| Show InChI InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)/t19-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.70	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50063276 (CHEMBL164604 | {4-[2-(4-Phenyl-3,6-dihydro-2H-pyri...) Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)| Show InChI InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)/t19-,22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.90	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))	BDBM50063276 (CHEMBL164604 | {4-[2-(4-Phenyl-3,6-dihydro-2H-pyri...) Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)| Show InChI InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)/t19-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.70	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