BDBM50231619 (1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(2-hydroxypropan-2-yl)-3-(4-(pyrimidin-5-yl)piperidin-1-yl)cyclopentanecarboxamide::CHEMBL429849

SMILES: CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=YIQYJBKGDDWABP-RCZVLFRGSA-N

Data: 3 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 3 hits for monomerid = 50231619   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50231619 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(2-hy...) Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O2/c1-24(2,39)25(6-3-22(12-25)37-7-4-18(5-8-37)19-14-34-16-35-15-19)23(38)36-13-17-9-20(26(28,29)30)11-21(10-17)27(31,32)33/h9-11,14-16,18,22,39H,3-8,12-13H2,1-2H3,(H,36,38)/t22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	844	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33S]MK499 from human ERG expressed in HEK cells				Bioorg Med Chem Lett 18: 994-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.029 BindingDB Entry DOI: 10.7270/Q2SQ9046
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50231619 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(2-hy...) Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O2/c1-24(2,39)25(6-3-22(12-25)37-7-4-18(5-8-37)19-14-34-16-35-15-19)23(38)36-13-17-9-20(26(28,29)30)11-21(10-17)27(31,32)33/h9-11,14-16,18,22,39H,3-8,12-13H2,1-2H3,(H,36,38)/t22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human monocytes assessed as inhibition of MCP1-mediated chemotaxis				Bioorg Med Chem Lett 18: 994-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.029 BindingDB Entry DOI: 10.7270/Q2SQ9046
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50231619 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(2-hy...) Show SMILES CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H32F6N4O2/c1-24(2,39)25(6-3-22(12-25)37-7-4-18(5-8-37)19-14-34-16-35-15-19)23(38)36-13-17-9-20(26(28,29)30)11-21(10-17)27(31,32)33/h9-11,14-16,18,22,39H,3-8,12-13H2,1-2H3,(H,36,38)/t22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from CCR2 receptor in human monocytes				Bioorg Med Chem Lett 18: 994-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.029 BindingDB Entry DOI: 10.7270/Q2SQ9046
					More data for this Ligand-Target Pair