Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50047652   

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
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM71388 (2-[(9,10-diketo-2-anthryl)sulfonylamino]acetic aci...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C16H11NO6S/c18-14(19)8-17-24(22,23)9-5-6-12-13(7-9)16(21)11-4-2-1-3-10(11)15(12)20/h1-7,17H,8H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50180877 (CHEMBL3819400) Show SMILES C[C@H](NC(=O)CCn1ccc2c(Cl)cccc12)C(O)=O |r| Show InChI InChI=1S/C14H15ClN2O3/c1-9(14(19)20)16-13(18)6-8-17-7-5-10-11(15)3-2-4-12(10)17/h2-5,7,9H,6,8H2,1H3,(H,16,18)(H,19,20)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+6	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50180878 (CHEMBL3818321) Show SMILES CC(C)O.CCCOc1ccc(cc1)C(Nc1ccc(F)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19FNO4P.C3H8O/c1-2-11-22-15-9-3-12(4-10-15)16(23(19,20)21)18-14-7-5-13(17)6-8-14;1-3(2)4/h3-10,16,18H,2,11H2,1H3,(H2,19,20,21);3-4H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50180881 (CHEMBL3818778) Show SMILES OC(=O)COc1nc(SCC(O)=O)nc(n1)-c1ccccc1 Show InChI InChI=1S/C13H11N3O5S/c17-9(18)6-21-12-14-11(8-4-2-1-3-5-8)15-13(16-12)22-7-10(19)20/h1-5H,6-7H2,(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to human [U-15N]CXCL12 L36C/A65C dimer mutant expressed in Escherichia coli assessed as induction of chemical shift perturbations at...				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50180880 (CHEMBL3818298) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(OCC(O)=O)c(C)c2)cc1C Show InChI InChI=1S/C17H19NO5S/c1-11-4-5-14(8-12(11)2)18-24(21,22)15-6-7-16(13(3)9-15)23-10-17(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.10E+6	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50180878 (CHEMBL3818321) Show SMILES CC(C)O.CCCOc1ccc(cc1)C(Nc1ccc(F)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19FNO4P.C3H8O/c1-2-11-22-15-9-3-12(4-10-15)16(23(19,20)21)18-14-7-5-13(17)6-8-14;1-3(2)4/h3-10,16,18H,2,11H2,1H3,(H2,19,20,21);3-4H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to human [U-15N]CXCL12 L36C/A65C dimer mutant expressed in Escherichia coli by 2D 1H-15N SOFAST HMQC NMR spectroscopy				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50180879 (CHEMBL3818292) Show SMILES OC(=O)CC1N(CCc2ccccc12)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H17FN2O3/c19-13-5-3-6-14(10-13)20-18(24)21-9-8-12-4-1-2-7-15(12)16(21)11-17(22)23/h1-7,10,16H,8-9,11H2,(H,20,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.10E+6	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy				J Med Chem 59: 4342-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b02042 BindingDB Entry DOI: 10.7270/Q2DB83SC
					More data for this Ligand-Target Pair