BDBM50123441 (2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140490

SMILES: C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MPGURQFCCSFBHA-PXNSSMCTSA-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 = 50123441   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123441 ((2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H37F3N6O/c1-17-16-35(14-15-36(17)20(4)21-6-8-22(9-7-21)27(28,29)30)26(5)10-12-34(13-11-26)24(37)23-18(2)32-25(31)33-19(23)3/h6-9,17,20H,10-16H2,1-5H3,(H2,31,32,33)/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123441 ((2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H37F3N6O/c1-17-16-35(14-15-36(17)20(4)21-6-8-22(9-7-21)27(28,29)30)26(5)10-12-34(13-11-26)24(37)23-18(2)32-25(31)33-19(23)3/h6-9,17,20H,10-16H2,1-5H3,(H2,31,32,33)/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)				J Med Chem 46: 4501-15 (2003) Article DOI: 10.1021/jm030265z BindingDB Entry DOI: 10.7270/Q2SB46GG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123441 ((2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H37F3N6O/c1-17-16-35(14-15-36(17)20(4)21-6-8-22(9-7-21)27(28,29)30)26(5)10-12-34(13-11-26)24(37)23-18(2)32-25(31)33-19(23)3/h6-9,17,20H,10-16H2,1-5H3,(H2,31,32,33)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair