BDBM50412557 CHEMBL464244

SMILES: C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C

InChI Key: InChIKey=RKXIJUWHKCDKAC-MRUHUIDDSA-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 = 50412557   

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-X-C chemokine receptor type 3 (Mus musculus)	BDBM50412557 (CHEMBL464244) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C |r| Show InChI InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50412557 (CHEMBL464244) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC11OCCO1)C2(C)C |r| Show InChI InChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair