Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM236784'   

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))	BDBM236784 (US9388149, 15 | US9580412, Example 15) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F |r,w:20.21| Show InChI InChI=1S/C27H28FN3O6S/c1-14-10-11-18(37-14)21(19-9-5-13-38-19)30-23-22(24(32)25(23)33)29-16-7-3-6-15(20(16)28)26(34)31-12-4-8-17(31)27(35)36-2/h3,6-7,10-11,17,19,21,29-30H,4-5,8-9,12-13H2,1-2H3/t17-,19?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
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C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM236784 (US9388149, 15 | US9580412, Example 15) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F |r,w:20.21| Show InChI InChI=1S/C27H28FN3O6S/c1-14-10-11-18(37-14)21(19-9-5-13-38-19)30-23-22(24(32)25(23)33)29-16-7-3-6-15(20(16)28)26(34)31-12-4-8-17(31)27(35)36-2/h3,6-7,10-11,17,19,21,29-30H,4-5,8-9,12-13H2,1-2H3/t17-,19?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	37
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description ⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...				US Patent US9388149 (2016) BindingDB Entry DOI: 10.7270/Q26W990K
					More data for this Ligand-Target Pair