BDBM50257901 (1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(tetrahydrothiophen-3-ylamino)cyclopentanecarboxamide::CHEMBL495165

SMILES: CC(C)[C@@]1(CC[C@H](C1)NC1CCSC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=LDHNBNIJFIOQER-IKCNDWCXSA-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 = 50257901   

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 2 (Homo sapiens (Human))	BDBM50257901 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H28F6N2OS/c1-13(2)20(5-3-17(10-20)30-18-4-6-32-12-18)19(31)29-11-14-7-15(21(23,24)25)9-16(8-14)22(26,27)28/h7-9,13,17-18,30H,3-6,10-12H2,1-2H3,(H,29,31)/t17-,18?,20+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CCR2 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9501-4 BindingDB Entry DOI: 10.7270/Q20R9S95
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50257901 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H28F6N2OS/c1-13(2)20(5-3-17(10-20)30-18-4-6-32-12-18)19(31)29-11-14-7-15(21(23,24)25)9-16(8-14)22(26,27)28/h7-9,13,17-18,30H,3-6,10-12H2,1-2H3,(H,29,31)/t17-,18?,20+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1830-4 (2009) Article DOI: 10.1016/j.bmcl.2008.12.050 BindingDB Entry DOI: 10.7270/Q2GH9HVZ
					More data for this Ligand-Target Pair