BDBM50170198 CHEMBL362193::N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3-fluoro-benzamide

SMILES: CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12

InChI Key: InChIKey=IESRGXWBZDJPLC-HDICACEKSA-N

Data: 2 IC50

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 = 50170198   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50170198 (CHEMBL362193 | N-[4-(4-Dimethylamino-quinazolin-2-...) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12 |wU:10.13,7.6,(1.73,2.57,;.4,1.79,;-.93,2.56,;.4,.25,;1.75,-.51,;1.76,-2.06,;3.09,-2.81,;4.42,-2.05,;5.76,-2.83,;7.09,-2.06,;7.09,-.52,;5.75,.25,;4.42,-.52,;8.43,.25,;9.76,-.52,;9.76,-2.06,;11.09,.25,;12.42,-.52,;13.75,.25,;13.75,1.79,;12.41,2.56,;12.41,4.1,;11.09,1.79,;.43,-2.83,;-.91,-2.06,;-2.26,-2.85,;-3.59,-2.08,;-3.59,-.54,;-2.26,.25,;-.91,-.52,)| Show InChI InChI=1S/C23H26FN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells				Bioorg Med Chem Lett 15: 3853-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.121 BindingDB Entry DOI: 10.7270/Q23R0TM4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50170198 (CHEMBL362193 | N-[4-(4-Dimethylamino-quinazolin-2-...) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12 |wU:10.13,7.6,(1.73,2.57,;.4,1.79,;-.93,2.56,;.4,.25,;1.75,-.51,;1.76,-2.06,;3.09,-2.81,;4.42,-2.05,;5.76,-2.83,;7.09,-2.06,;7.09,-.52,;5.75,.25,;4.42,-.52,;8.43,.25,;9.76,-.52,;9.76,-2.06,;11.09,.25,;12.42,-.52,;13.75,.25,;13.75,1.79,;12.41,2.56,;12.41,4.1,;11.09,1.79,;.43,-2.83,;-.91,-2.06,;-2.26,-2.85,;-3.59,-2.08,;-3.59,-.54,;-2.26,.25,;-.91,-.52,)| Show InChI InChI=1S/C23H26FN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE...				Bioorg Med Chem Lett 15: 3853-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.121 BindingDB Entry DOI: 10.7270/Q23R0TM4
					More data for this Ligand-Target Pair