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SMILES: Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12

InChI Key: InChIKey=SEDUMQWZEOMXSO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50102222   

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))	BDBM50102222 (1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl...) Show SMILES Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12 Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50102222 (1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl...) Show SMILES Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12 Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair