Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'baker' and Initial = 'jr'   

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
Riboflavin-binding protein (Gallus gallus)	BDBM50362895 (Lactoflavin | RIBOFLAVIN) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r| Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Calvin College Curated by ChEMBL					Assay Description Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50015214 (6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...) Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Calvin College Curated by ChEMBL					Assay Description Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50483961 (CHEMBL1795561) Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H20N4O5/c22-20-11-10-19(23-24(20)12-2-5-21(26)27)16-6-8-18(9-7-16)30-14-15-3-1-4-17(13-15)25(28)29/h1,3-4,6-11,13,22H,2,5,12,14H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...				Bioorg Med Chem Lett 21: 4252-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.067 BindingDB Entry DOI: 10.7270/Q2QR5101
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50483959 (CHEMBL1795560) Show SMILES Br.COc1cccc(COc2ccc(cc2)-c2ccc(=N)n(CCCC(O)=O)n2)c1 Show InChI InChI=1S/C22H23N3O4/c1-28-19-5-2-4-16(14-19)15-29-18-9-7-17(8-10-18)20-11-12-21(23)25(24-20)13-3-6-22(26)27/h2,4-5,7-12,14,23H,3,6,13,15H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...				Bioorg Med Chem Lett 21: 4252-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.067 BindingDB Entry DOI: 10.7270/Q2QR5101
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50483958 (CHEMBL1795348) Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...				Bioorg Med Chem Lett 21: 4252-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.067 BindingDB Entry DOI: 10.7270/Q2QR5101
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50483960 (CHEMBL1795562) Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C17H17N3O3/c1-2-12-23-14-7-5-13(6-8-14)15-9-10-16(18)20(19-15)11-3-4-17(21)22/h1,5-10,18H,3-4,11-12H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...				Bioorg Med Chem Lett 21: 4252-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.067 BindingDB Entry DOI: 10.7270/Q2QR5101
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50001572 ((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	349	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...				Bioorg Med Chem Lett 21: 4252-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.067 BindingDB Entry DOI: 10.7270/Q2QR5101
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	7.4	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50015214 (6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...) Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	264	n/a	n/a	n/a	7.4	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50362897 (LUMIFLAVIN) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C Show InChI InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	61	n/a	n/a	n/a	7.4	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50362896 (CHEMBL1946750) Show SMILES Cc1cc2nc3c(nc(=O)n(CC(=O)NCCCN)c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r| Show InChI InChI=1S/C22H30N6O7/c1-11-6-13-14(7-12(11)2)27(8-15(30)19(33)16(31)10-29)20-18(25-13)21(34)28(22(35)26-20)9-17(32)24-5-3-4-23/h6-7,15-16,19,29-31,33H,3-5,8-10,23H2,1-2H3,(H,24,32)/t15-,16+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein by surface plasmon resonance assay				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50362895 (Lactoflavin | RIBOFLAVIN) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r| Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	34	n/a	n/a	n/a	9.0	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 9 in 0.1 M Tris by isothermal titration calorimetric a...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50362895 (Lactoflavin | RIBOFLAVIN) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r| Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	4.0	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 4 in 0.1 M NaAc by isothermal titration calorimetric a...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50362895 (Lactoflavin | RIBOFLAVIN) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r| Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	7.4	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair
Riboflavin-binding protein (Gallus gallus)	BDBM50362895 (Lactoflavin | RIBOFLAVIN) Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r| Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.60	n/a	n/a	n/a	7.4	n/a
Calvin College Curated by ChEMBL					Assay Description Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in 0.1 M phosphate buffer by isothermal titration ...				ACS Med Chem Lett 2: 363-367 (2011) Article DOI: 10.1021/ml100296z BindingDB Entry DOI: 10.7270/Q2SX6DP8
					More data for this Ligand-Target Pair