Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 50006342   

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
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C Show InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by surface plasmon resonance analysis				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50375599 (DEOXYCHOLATE | Deoxycholic Acid | KYBELLA) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C Show InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50427551 (CHEMBL1499599) Show SMILES Cc1nnc2ccc(nn12)N1CCCC1 Show InChI InChI=1S/C10H13N5/c1-8-11-12-9-4-5-10(13-15(8)9)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50427553 (CHEMBL1338939) Show SMILES NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50427554 (3-(3-(Trifluoromethyl)Phenyl)Acrylamide | CHEMBL10...) Show SMILES NC(=O)\C=C\c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50427552 (CHEMBL382602) Show SMILES Cn1cc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair
Steroid Delta-isomerase (Pseudomonas putida)	BDBM50292538 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21 |r| Show InChI InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry				J Med Chem 56: 2155-9 (2013) Article DOI: 10.1021/jm301603n BindingDB Entry DOI: 10.7270/Q2PR7X98
					More data for this Ligand-Target Pair