Compile Data Set for Download or QSAR

Found 24 hits of kd for UniProtKB: P0A881   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Trp operon repressor (Escherichia coli (strain K12))	BDBM92681 (3-Beta-Indole-acrylic acid (Tran), 1) Show SMILES [O-]C(=O)\C=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/p-1/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	516	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92682 (5-Methyl-L-tryptophan, 2) Show SMILES Cc1ccc2[nH]cc(CC([NH3+])C([O-])=O)c2c1 Show InChI InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92683 (Indole-3-butyric acid, 3) Show SMILES [O-]C(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92684 (Indole-3-propionic acid, 4) Show SMILES [O-]C(=O)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	9.74E+3	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92685 (D-Tryptophan, 20 | L-Tryptophan, 5) Show SMILES [NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92686 (Tryptaphol, 6) Show SMILES OCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92687 (1-Methyl-L-tryptophan, 8) Show SMILES Cn1cc(CC(N)C([O-])=O)c2ccccc12 Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92688 (L-Tryptophanamide, 9) Show SMILES NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM50073691 (2-(5-Methyl-1H-indol-3-yl)-ethylamine | 5-Methyl-t...) Show SMILES Cc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trp operon repressor (Escherichia coli (strain K12))	BDBM92689 (5-Methoxyu-L-tryptophan, 11) Show SMILES COc1ccc2[nH]cc(CC([NH3+])C([O-])=O)c2c1 Show InChI InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92690 (L-Abrine, 12) Show SMILES [O-]C(=O)C(Cc1c[nH]c2ccccc12)[NH+]=C Show InChI InChI=1S/C12H12N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,1,6H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.11E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92691 (L-Indole-3-lactic acid, 13) Show SMILES OC(Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92692 (L-Tryptophan methyl ester, 14) Show SMILES COC(=O)C(N)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92693 (Tryptamine, 15) Show SMILES [NH3+]CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92694 (Indole-3-acetic acid, 16) Show SMILES [O-]C(=O)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.29E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92695 (6-Nitro-L-tryptophan, 17) Show SMILES [NH3+]C(Cc1c[nH]c2cc(ccc12)[N+]([O-])=O)C([O-])=O Show InChI InChI=1S/C11H11N3O4/c12-9(11(15)16)3-6-5-13-10-4-7(14(17)18)1-2-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.56E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92696 (N-Formyl-L-tryptophan, 18) Show SMILES [O-]C(=O)C(Cc1c[nH]c2ccccc12)[NH2+]C=O Show InChI InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92697 (Indoline, 19) Show SMILES C1Cc2ccccc2N1 Show InChI InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92685 (D-Tryptophan, 20 | L-Tryptophan, 5) Show SMILES [NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.43E+5	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92699 (7-Aza-L-tryptophan, 21) Show SMILES [NH3+]C(Cc1c[nH]c2ncccc12)C([O-])=O Show InChI InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	4.66E+5	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92700 (5-Hydroxy-L-tryptophan, 22) Show SMILES [NH3+]C(Cc1c[nH]c2ccc(O)cc12)C([O-])=O Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.84E+6	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92701 (L-Phenylalanine, 23) Show SMILES [NH3+]C(Cc1ccccc1)C([O-])=O Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>3.00E+6	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Trp operon repressor (Escherichia coli (strain K12))	BDBM92702 (L-Tyrosine, 24) Show SMILES [NH3+]C(Cc1ccc(O)cc1)C([O-])=O Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>3.00E+6	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair