Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1' and Ligand = 'BDBM50233556'   

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 1 (Homo sapiens (Human))	BDBM50233556 (2-hydroxy-N,N-dimethyl-3-(2-(1-(3-methyl-1,2,4-oxa...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1nc(C)no1 |w:2.2| Show InChI InChI=1S/C19H21N5O5/c1-5-11(18-20-9(2)23-29-18)21-13-14(17(27)16(13)26)22-12-8-6-7-10(15(12)25)19(28)24(3)4/h6-8,11,21-22,25H,5H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CXCR1				Bioorg Med Chem Lett 18: 1318-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.024 BindingDB Entry DOI: 10.7270/Q2PV6K33
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