BDBM50331724 CHEMBL1290754::N-(2-((3S,4S)-4-butoxy-1-(cis-4-phenylcyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide

SMILES: CCCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1

InChI Key: InChIKey=WSILZVNXWWOLEZ-MKKUMYSQSA-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 = 50331724   

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 (Mus musculus)	BDBM50331724 (CHEMBL1290754 | N-(2-((3S,4S)-4-butoxy-1-(cis-4-ph...) Show SMILES CCCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:5.4,27.28,30.35,wD:9.10,(29.88,-31.47,;28.63,-30.57,;28.78,-29.04,;27.53,-28.14,;27.68,-26.61,;26.43,-25.71,;24.97,-26.19,;24.06,-24.94,;24.96,-23.69,;26.42,-24.17,;27.75,-23.4,;29.09,-24.17,;29.09,-25.71,;30.42,-23.4,;31.76,-24.17,;33.09,-23.4,;33.09,-21.86,;34.43,-24.17,;35.75,-23.4,;37.09,-24.16,;37.09,-25.71,;35.76,-26.49,;34.43,-25.71,;35.76,-28.03,;34.43,-28.79,;37.09,-28.79,;35.74,-29.56,;22.52,-24.94,;21.75,-26.28,;20.21,-26.28,;19.44,-24.94,;20.21,-23.61,;21.75,-23.61,;17.91,-24.94,;17.14,-23.6,;15.6,-23.6,;14.83,-24.93,;15.6,-26.27,;17.13,-26.27,)| Show InChI InChI=1S/C30H38F3N3O3/c1-2-3-16-39-27-20-36(25-14-12-22(13-15-25)21-8-5-4-6-9-21)19-26(27)35-28(37)18-34-29(38)23-10-7-11-24(17-23)30(31,32)33/h4-11,17,22,25-27H,2-3,12-16,18-20H2,1H3,(H,34,38)(H,35,37)/t22-,25+,26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter				Bioorg Med Chem Lett 20: 7473-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.020 BindingDB Entry DOI: 10.7270/Q2TQ61S9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50331724 (CHEMBL1290754 | N-(2-((3S,4S)-4-butoxy-1-(cis-4-ph...) Show SMILES CCCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:5.4,27.28,30.35,wD:9.10,(29.88,-31.47,;28.63,-30.57,;28.78,-29.04,;27.53,-28.14,;27.68,-26.61,;26.43,-25.71,;24.97,-26.19,;24.06,-24.94,;24.96,-23.69,;26.42,-24.17,;27.75,-23.4,;29.09,-24.17,;29.09,-25.71,;30.42,-23.4,;31.76,-24.17,;33.09,-23.4,;33.09,-21.86,;34.43,-24.17,;35.75,-23.4,;37.09,-24.16,;37.09,-25.71,;35.76,-26.49,;34.43,-25.71,;35.76,-28.03,;34.43,-28.79,;37.09,-28.79,;35.74,-29.56,;22.52,-24.94,;21.75,-26.28,;20.21,-26.28,;19.44,-24.94,;20.21,-23.61,;21.75,-23.61,;17.91,-24.94,;17.14,-23.6,;15.6,-23.6,;14.83,-24.93,;15.6,-26.27,;17.13,-26.27,)| Show InChI InChI=1S/C30H38F3N3O3/c1-2-3-16-39-27-20-36(25-14-12-22(13-15-25)21-8-5-4-6-9-21)19-26(27)35-28(37)18-34-29(38)23-10-7-11-24(17-23)30(31,32)33/h4-11,17,22,25-27H,2-3,12-16,18-20H2,1H3,(H,34,38)(H,35,37)/t22-,25+,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counter				Bioorg Med Chem Lett 20: 7473-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.020 BindingDB Entry DOI: 10.7270/Q2TQ61S9
					More data for this Ligand-Target Pair