BDBM50363948 CHEMBL1951773

SMILES: O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1

InChI Key: InChIKey=GAKKMSMTYSFQMD-TXTKFYIRSA-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 = 50363948   

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))	BDBM50363948 (CHEMBL1951773) Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1 |r,wU:4.7,wD:10.13,1.0,(-5.3,-43.56,;-4.53,-44.91,;-3.72,-46.22,;-2.19,-46.19,;-1.44,-44.84,;-2.24,-43.52,;-3.78,-43.55,;.1,-44.81,;1.02,-46.04,;2.48,-45.53,;2.45,-43.99,;.97,-43.55,;3.77,-43.21,;5.11,-43.96,;5.13,-45.5,;6.44,-43.17,;7.78,-43.93,;9.11,-43.14,;9.09,-41.6,;10.45,-43.89,;10.46,-45.43,;11.8,-46.19,;13.13,-45.4,;13.1,-43.85,;11.76,-43.1,;14.42,-43.06,;15.77,-43.81,;14.4,-41.52,;15.75,-42.28,;-6.07,-44.94,;-6.81,-46.3,;-8.35,-46.33,;-9.15,-45.01,;-8.4,-43.66,;-6.87,-43.63,)| Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(10-17)22(34)30-13-21(33)31-19-6-9-32(14-19)20-4-7-23(35,8-5-20)18-11-28-15-29-12-18/h1-3,10-12,15,19-20,35H,4-9,13-14H2,(H,30,34)(H,31,33)/t19-,20-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins				ACS Med Chem Lett 2: 450-454 (2011) Article DOI: 10.1021/ml200030q BindingDB Entry DOI: 10.7270/Q2WD4116
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50363948 (CHEMBL1951773) Show SMILES O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1 |r,wU:4.7,wD:10.13,1.0,(-5.3,-43.56,;-4.53,-44.91,;-3.72,-46.22,;-2.19,-46.19,;-1.44,-44.84,;-2.24,-43.52,;-3.78,-43.55,;.1,-44.81,;1.02,-46.04,;2.48,-45.53,;2.45,-43.99,;.97,-43.55,;3.77,-43.21,;5.11,-43.96,;5.13,-45.5,;6.44,-43.17,;7.78,-43.93,;9.11,-43.14,;9.09,-41.6,;10.45,-43.89,;10.46,-45.43,;11.8,-46.19,;13.13,-45.4,;13.1,-43.85,;11.76,-43.1,;14.42,-43.06,;15.77,-43.81,;14.4,-41.52,;15.75,-42.28,;-6.07,-44.94,;-6.81,-46.3,;-8.35,-46.33,;-9.15,-45.01,;-8.4,-43.66,;-6.87,-43.63,)| Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(10-17)22(34)30-13-21(33)31-19-6-9-32(14-19)20-4-7-23(35,8-5-20)18-11-28-15-29-12-18/h1-3,10-12,15,19-20,35H,4-9,13-14H2,(H,30,34)(H,31,33)/t19-,20-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from CCR2 in human PBMC after 30 mins by gamma counter				ACS Med Chem Lett 2: 450-454 (2011) Article DOI: 10.1021/ml200030q BindingDB Entry DOI: 10.7270/Q2WD4116
					More data for this Ligand-Target Pair