Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'volkman' and Initial = 'bf'   

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
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591380 (CHEMBL5180611) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184981 (CHEMBL3823055) Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591362 (CHEMBL5195502) Show SMILES Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591371 (CHEMBL5187356) Show SMILES Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591363 (CHEMBL5170275) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591381 (CHEMBL5184118) Show SMILES Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591372 (CHEMBL5207236) Show SMILES Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591370 (CHEMBL5185774) Show SMILES Cc1ccc(C)c(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591367 (CHEMBL5195542) Show SMILES Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591364 (CHEMBL5194300) Show SMILES Cc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591358 (CHEMBL5204703) Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591359 (CHEMBL5170175) Show SMILES Clc1cccc2NC(NC(=O)c12)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591379 (CHEMBL5176658) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(C)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591368 (CHEMBL5181215) Show SMILES Cc1cc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591360 (CHEMBL5205087) Show SMILES Fc1ccccc1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591361 (CHEMBL5197320) Show SMILES Clc1ccccc1C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591365 (CHEMBL5171156) Show SMILES COc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591378 (CHEMBL5178860) Show SMILES Cc1cccc(c1)C1NC(=O)c2c(F)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591366 (CHEMBL5203878) Show SMILES FC(F)(F)c1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591357 (CHEMBL5205514) Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591383 (CHEMBL5184333) Show SMILES OC(=O)c1cccc2c1[nH]c1cccc(Cl)c1c2=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591374 (CHEMBL5172472) Show SMILES NC(=O)c1c(Cl)cccc1\N=C\c1c(F)cccc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591382 (CHEMBL5171944) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50104297 (CHEMBL3594130) Show SMILES Cc1ccccc1C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C15H14N2O/c1-10-6-2-3-7-11(10)14-16-13-9-5-4-8-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591377 (CHEMBL5200761) Show SMILES COc1cccc2NC(NC(=O)c12)c1ccccc1C Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591369 (CHEMBL5186537) Show SMILES Cc1cc(C)cc(c1)C1NC(=O)c2c(Cl)cccc2N1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591376 (CHEMBL5196748) Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591373 (CHEMBL5171878) Show SMILES NC(=O)c1ccccc1\N=C\c1c(F)cccc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591347 (CHEMBL541514) Show SMILES OC(=O)c1cccc2c1[nH]c1ccccc1c2=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591375 (CHEMBL5202589) Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)o1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591385 (CHEMBL5169618) Show SMILES OC(=O)c1ccc(Cl)c2c1[nH]c1ccccc1c2=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50591384 (LOBENZARIT | Lobenzarit) Show SMILES OC(=O)c1ccccc1Nc1cc(Cl)ccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18
					More data for this Ligand-Target Pair
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))	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
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))	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))	BDBM26590 (2-({2-[(carboxymethyl)sulfanyl]-6-phenylpyrimidin-...) Show SMILES OC(=O)CSc1cc(nc(SCC(O)=O)n1)-c1ccccc1 Show InChI InChI=1S/C14H12N2O4S2/c17-12(18)7-21-11-6-10(9-4-2-1-3-5-9)15-14(16-11)22-8-13(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)	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	1.69E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572254 (CHEMBL4867673) Show SMILES Cc1cc(SCC(O)=O)nc(SCC(O)=O)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572255 (CHEMBL4849432) Show SMILES OC(=O)CSc1cc(ncn1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572256 (CHEMBL4868335) Show SMILES OC(=O)CSc1nc(SCC(O)=O)nc(n1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572257 (CHEMBL4847868) Show SMILES OC(=O)CNc1nc(NCC(O)=O)nc(n1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.55E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572258 (CHEMBL4872618) Show SMILES OC(=O)CCSc1nc(SCCC(O)=O)nc(n1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572259 (CHEMBL4852068) Show SMILES CCCC[C@H](Nc1nc(N[C@@H](CCCC)C(O)=O)nc(n1)-c1ccccc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572260 (CHEMBL4852802) Show SMILES CCCC[C@@H](Nc1nc(N[C@@H](CCCC)C(O)=O)nc(n1)-c1ccccc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.83E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572261 (CHEMBL4861301) Show SMILES OC(=O)CSc1nc(SCC(O)=O)nc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.46E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572262 (CHEMBL4879153) Show SMILES COc1ccc(cc1)-c1nc(SCC(O)=O)nc(SCC(O)=O)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.57E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50572263 (CHEMBL4867948) Show SMILES OC(=O)CSc1nc(SCC(O)=O)nc(n1)-c1ccc(cc1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.06E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00388 BindingDB Entry DOI: 10.7270/Q2MP572S
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 94 total )  |  Next  |  Last  >>

Jump to: