BDBM50048180 CHEMBL3310785

SMILES: CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N

InChI Key: InChIKey=OUKNQYYIJLMZBM-QWRGUYRKSA-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 = 50048180   

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 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50048180 (CHEMBL3310785) Show SMILES CCOC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r| Show InChI InChI=1S/C18H15F2N3O3S/c1-2-26-17(25)11-6-10(11)15-12(7-21)16(24)23-18(22-15)27-8-9-4-3-5-13(19)14(9)20/h3-5,10-11H,2,6,8H2,1H3,(H,22,23,24)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 3285-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.011 BindingDB Entry DOI: 10.7270/Q2930VTJ
					More data for this Ligand-Target Pair