Compile Data Set for Download or QSAR

Found 372 hits with Last Name = 'boeglin' and Initial = 'd'   

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))	BDBM50369245 (CHEMBL4170392) Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(C)C)ccc1O Show InChI InChI=1S/C19H20O3/c1-13(2)15-6-8-16(9-7-15)17(20)10-4-14-5-11-18(21)19(12-14)22-3/h4-13,21H,1-3H3/b10-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369246 (CHEMBL4160309) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C16H13BrO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369285 (CHEMBL4160346) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-5-4-11(17)9-13(12)18/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369286 (CHEMBL4167574) Show SMILES COc1cc(\C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-9-11(17)4-5-13(12)18/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042947 (1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369256 (CHEMBL4175451) Show SMILES COc1cc(\C=C\C(=O)c2c(Cl)cccc2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-15-9-10(5-7-13(15)19)6-8-14(20)16-11(17)3-2-4-12(16)18/h2-9,19H,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369248 (CHEMBL4163005) Show SMILES COc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C17H13ClO3/c1-21-16-7-10(2-5-15(16)19)6-12-8-11-9-13(18)3-4-14(11)17(12)20/h2-7,9,19H,8H2,1H3/b12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369244 (CHEMBL4169628) Show SMILES COc1cc(ccc1O)C1CC(=NN1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C16H15ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-8,14,19-20H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369321 (CHEMBL4168220) Show SMILES COc1cc(\C=C\C(=O)c2ccc(I)cc2)ccc1O Show InChI InChI=1S/C16H13IO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369280 (CHEMBL4166275) Show SMILES COc1cc(\C=C\C(=O)c2ccccc2Cl)ccc1O Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,19H,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369250 (CHEMBL4168923) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2F)ccc1O Show InChI InChI=1S/C16H12ClFO3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-5-4-11(17)9-13(12)18/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369330 (CHEMBL4160583) Show SMILES COc1cc(\C=C2/Oc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C16H11ClO4/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,18H,1H3/b15-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369279 (CHEMBL4166454) Show SMILES COc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369249 (CHEMBL4173832) Show SMILES COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1O Show InChI InChI=1S/C17H16O3/c1-12-3-7-14(8-4-12)15(18)9-5-13-6-10-16(19)17(11-13)20-2/h3-11,19H,1-2H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042973 (1-(4-Chloro-phenyl)-3-(3,4-dihydroxy-phenyl)-prope...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O Show InChI InChI=1S/C15H11ClO3/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369278 (CHEMBL4162605) Show SMILES COc1cc(\C=C2/COc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C17H13ClO4/c1-21-16-7-10(2-5-14(16)19)6-11-9-22-15-8-12(18)3-4-13(15)17(11)20/h2-8,19H,9H2,1H3/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369292 (CHEMBL4175213) Show SMILES Cl.NCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C17H16ClNO3/c18-14-5-3-13(4-6-14)15(20)7-1-12-2-8-16(21)17(11-12)22-10-9-19/h1-8,11,21H,9-10,19H2/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369322 (CHEMBL4170951) Show SMILES COc1cc(\C=C\C(=O)c2cccc(Cl)c2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-15-9-10(6-8-14(15)20)5-7-13(19)11-3-2-4-12(17)16(11)18/h2-9,20H,1H3/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369282 (CHEMBL4169688) Show SMILES COc1cc(\C=C\C(=O)c2ccc(F)cc2)ccc1O Show InChI InChI=1S/C16H13FO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369294 (CHEMBL4159394) Show SMILES Cl.NCCOCCOCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C21H24ClNO5/c22-18-5-3-17(4-6-18)19(24)7-1-16-2-8-20(25)21(15-16)28-14-13-27-12-11-26-10-9-23/h1-8,15,25H,9-14,23H2/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	475	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369320 (CHEMBL4175047) Show SMILES Cl.NCCOCCOc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C20H20ClNO4/c21-16-2-3-17-14(12-16)11-15(20(17)24)9-13-1-4-18(23)19(10-13)26-8-7-25-6-5-22/h1-4,9-10,12,23H,5-8,11,22H2/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	496	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369291 (CHEMBL226710) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	625	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369247 (CHEMBL4164132) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)11-4-5-12(17)13(18)9-11/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	714	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369283 (CHEMBL243400) Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)ccc1O Show InChI InChI=1S/C17H13F3O3/c1-23-16-10-11(3-9-15(16)22)2-8-14(21)12-4-6-13(7-5-12)17(18,19)20/h2-10,22H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369341 (CHEMBL4167307) Show SMILES Cl.NCCOCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C19H20ClNO4/c20-16-5-3-15(4-6-16)17(22)7-1-14-2-8-18(23)19(13-14)25-12-11-24-10-9-21/h1-8,13,23H,9-12,21H2/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369289 (CHEMBL4159676) Show SMILES Clc1ccc(cc1)C(=O)\C=C\c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13ClO3/c18-14-5-3-13(4-6-14)15(19)7-1-12-2-8-16-17(11-12)21-10-9-20-16/h1-8,11H,9-10H2/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369329 (CHEMBL4163644) Show SMILES COc1cc(ccc1O)-c1cc(nc(C)n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN2O2/c1-11-20-15(12-3-6-14(19)7-4-12)10-16(21-11)13-5-8-17(22)18(9-13)23-2/h3-10,22H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042992 (3-(4-Hydroxy-3-methoxy-phenyl)-1-(4-methoxy-phenyl...) Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H16O4/c1-20-14-7-5-13(6-8-14)15(18)9-3-12-4-10-16(19)17(11-12)21-2/h3-11,19H,1-2H3/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369313 (CHEMBL4174118) Show SMILES COc1cc(\C=C(/C)C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C17H15ClO3/c1-11(17(20)13-4-6-14(18)7-5-13)9-12-3-8-15(19)16(10-12)21-2/h3-10,19H,1-2H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369284 (CHEMBL4177186) Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(O)=O)ccc1O Show InChI InChI=1S/C17H14O5/c1-22-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(7-5-12)17(20)21/h2-10,19H,1H3,(H,20,21)/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50277165 (CHEMBL4169514) Show SMILES COc1cc(\C=C\C(=O)c2cccnc2)ccc1O Show InChI InChI=1S/C15H13NO3/c1-19-15-9-11(5-7-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369328 (CHEMBL376598) Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H13ClO2/c1-19-15-4-2-3-12(11-15)5-10-16(18)13-6-8-14(17)9-7-13/h2-11H,1H3/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369340 (CHEMBL4170694) Show SMILES COc1cc(ccc1O)C(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-12(5-9-15(16)19)14(18)8-4-11-2-6-13(17)7-3-11/h2-10,19H,1H3/b8-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369319 (CHEMBL4174364) Show SMILES COc1cc(ccc1O)-c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-9,20H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369318 (CHEMBL4174763) Show SMILES COc1cc(ccc1O)-c1cc(nc(N)n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2/c1-23-16-8-11(4-7-15(16)22)14-9-13(20-17(19)21-14)10-2-5-12(18)6-3-10/h2-9,22H,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369317 (CHEMBL4162350) Show SMILES COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C18H17ClN2O3/c1-11(22)21-16(13-5-8-17(23)18(9-13)24-2)10-15(20-21)12-3-6-14(19)7-4-12/h3-9,16,23H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369316 (CHEMBL4166202) Show SMILES COc1cc(CCC(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C16H15ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h3-7,9-10,19H,2,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369290 (CHEMBL4173759) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1[N+]([O-])=O Show InChI InChI=1S/C16H12ClNO4/c1-22-16-10-11(2-8-14(16)18(20)21)3-9-15(19)12-4-6-13(17)7-5-12/h2-10H,1H3/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369288 (CHEMBL227926) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O Show InChI InChI=1S/C16H13ClO3/c1-20-16-9-3-11(10-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369287 (CHEMBL4160730) Show SMILES COc1cc(\C=C\C(=O)c2ccncc2)ccc1O Show InChI InChI=1S/C15H13NO3/c1-19-15-10-11(3-5-14(15)18)2-4-13(17)12-6-8-16-9-7-12/h2-10,18H,1H3/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369243 (CHEMBL4173930) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1N Show InChI InChI=1S/C16H14ClNO2/c1-20-16-10-11(2-8-14(16)18)3-9-15(19)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50440647 (CHEMBL465025) Show SMILES COc1cc(\C=C\C(=O)c2ccccc2)ccc1O Show InChI InChI=1S/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369277 (CHEMBL4164112) Show SMILES CNc1nc(cc(n1)-c1ccc(O)c(OC)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClN3O2/c1-20-18-21-14(11-3-6-13(19)7-4-11)10-15(22-18)12-5-8-16(23)17(9-12)24-2/h3-10,23H,1-2H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369276 (CHEMBL4177375) Show SMILES COc1cc(\C=C\C(=N\O)\c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C16H14ClNO3/c1-21-16-10-11(3-9-15(16)19)2-8-14(18-20)12-4-6-13(17)7-5-12/h2-10,19-20H,1H3/b8-2+,18-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369275 (CHEMBL4162758) Show SMILES COc1cc(ccc1O)C(\C)=C\C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClO3/c1-11(13-5-8-15(19)17(10-13)21-2)9-16(20)12-3-6-14(18)7-4-12/h3-10,19H,1-2H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369262 (CHEMBL224637) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1OC Show InChI InChI=1S/C17H15ClO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,1-2H3/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50398638 (CHEMBL2178112) Show SMILES OC(=O)c1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C16H11ClO4/c17-12-5-3-11(4-6-12)14(18)7-1-10-2-8-15(19)13(9-10)16(20)21/h1-9,19H,(H,20,21)/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50366689 (GHRELIN) Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)| Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier I et II Curated by ChEMBL					Assay Description Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand				J Med Chem 46: 1191-203 (2003) Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier I et II Curated by ChEMBL					Assay Description Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand				J Med Chem 46: 1191-203 (2003) Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50125888 (CHEMBL282891 | Piperidine-4-carboxylic acid [1-[(R...) Show SMILES O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 Show InChI InChI=1S/C28H32N6O3/c35-17-32-26(14-20-16-31-24-8-4-2-6-22(20)24)34-28(37)25(33-27(36)18-9-11-29-12-10-18)13-19-15-30-23-7-3-1-5-21(19)23/h1-8,15-18,25-26,29-31H,9-14H2,(H,32,35)(H,33,36)(H,34,37)/t25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier I et II Curated by ChEMBL					Assay Description Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand				J Med Chem 46: 1191-203 (2003) Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ
					More data for this Ligand-Target Pair

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