Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1' and Ligand = 'BDBM172357'   

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))	BDBM172357 (US9090596, 37a | US9090596, 37b) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3cc(C)co3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O6/c1-12-8-15(32-9-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	827	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 .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM172357 (US9090596, 37a | US9090596, 37b) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3cc(C)co3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O6/c1-12-8-15(32-9-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.69E+3	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 .beta.-a...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair