Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM150837'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM150837 (US8981106, 26 | USRE47267, Compound 26) Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3nn[nH]n3)nc2)cc1 Show InChI InChI=1S/C20H15FN6OS/c21-15-6-8-16(9-7-15)23-20(28)13-5-10-18(22-11-13)29-12-14-3-1-2-4-17(14)19-24-26-27-25-19/h1-11H,12H2,(H,23,28)(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...				J Med Chem 57: 8378-97 (2014) Article DOI: 10.1021/jm500827t BindingDB Entry DOI: 10.7270/Q2FX7C22
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM150837 (US8981106, 26 | USRE47267, Compound 26) Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3nn[nH]n3)nc2)cc1 Show InChI InChI=1S/C20H15FN6OS/c21-15-6-8-16(9-7-15)23-20(28)13-5-10-18(22-11-13)29-12-14-3-1-2-4-17(14)19-24-26-27-25-19/h1-11H,12H2,(H,23,28)(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems, Inc. US Patent					Assay Description The assay is a Ca2+ mobilization assay that measures changes in intracellular Ca2+ with a FlexStation II scanning fluorometer using a FLIPR-3 Calcium...				US Patent USRE47267 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WSH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM150837 (US8981106, 26 | USRE47267, Compound 26) Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3nn[nH]n3)nc2)cc1 Show InChI InChI=1S/C20H15FN6OS/c21-15-6-8-16(9-7-15)23-20(28)13-5-10-18(22-11-13)29-12-14-3-1-2-4-17(14)19-24-26-27-25-19/h1-11H,12H2,(H,23,28)(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	37
Syntrix Biosystems, Inc. US Patent					Assay Description An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...				US Patent US8981106 (2015) BindingDB Entry DOI: 10.7270/Q2WW7GC1
					More data for this Ligand-Target Pair