Compile Data Set for Download or QSAR

Found 5 hits of ki for UniProtKB: P16116   

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
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50010332 (CHEMBL3251376) Show SMILES [H][C@@]12C=CN(C=C1C(=O)NC(O)C2CCCCCCCC)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5| Show InChI InChI=1S/C31H48N7O18P3/c1-2-3-4-5-6-7-8-17-16-9-10-37(11-18(16)29(43)36-28(17)42)30-23(40)22(39)19(53-30)12-51-58(47,48)55-25-20(13-52-59(49,50)56-57(44,45)46)54-31(24(25)41)38-15-35-21-26(32)33-14-34-27(21)38/h9-11,14-17,19-20,22-25,28,30-31,39-42H,2-8,12-13H2,1H3,(H,36,43)(H,47,48)(H,49,50)(H2,32,33,34)(H2,44,45,46)/t16-,17?,19+,20+,22+,23+,24+,25+,28?,30+,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of beef brain NADP-dependent aldehyde reductase using p-nitrobenzaldehyde by competitive inhibition assay				J Med Chem 22: 1011-4 (1979) BindingDB Entry DOI: 10.7270/Q21C1ZD2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50010334 (CHEMBL3251378) Show SMILES [H][C@@]12C=CN(C=C1C(=O)NC(O)C2c1ccccc1)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5| Show InChI InChI=1S/C29H36N7O18P3/c30-24-19-25(32-11-31-24)36(12-33-19)29-22(39)23(17(52-29)10-50-57(47,48)54-55(42,43)44)53-56(45,46)49-9-16-20(37)21(38)28(51-16)35-7-6-14-15(8-35)26(40)34-27(41)18(14)13-4-2-1-3-5-13/h1-8,11-12,14,16-18,20-23,27-29,37-39,41H,9-10H2,(H,34,40)(H,45,46)(H,47,48)(H2,30,31,32)(H2,42,43,44)/t14-,16-,17-,18?,20-,21-,22-,23-,27?,28-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of beef brain NADP-dependent aldehyde reductase using p-nitrobenzaldehyde by competitive inhibition assay				J Med Chem 22: 1011-4 (1979) BindingDB Entry DOI: 10.7270/Q21C1ZD2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50010333 (CHEMBL3251377) Show SMILES [H][C@@]12C=CN(C=C1C(=O)NC(O)C2Cc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5| Show InChI InChI=1S/C30H38N7O18P3/c31-25-20-26(33-12-32-25)37(13-34-20)30-23(40)24(19(53-30)11-51-58(48,49)55-56(43,44)45)54-57(46,47)50-10-18-21(38)22(39)29(52-18)36-7-6-15-16(8-14-4-2-1-3-5-14)27(41)35-28(42)17(15)9-36/h1-7,9,12-13,15-16,18-19,21-24,27,29-30,38-41H,8,10-11H2,(H,35,42)(H,46,47)(H,48,49)(H2,31,32,33)(H2,43,44,45)/t15-,16?,18+,19+,21+,22+,23+,24+,27?,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of beef brain NADP-dependent aldehyde reductase using p-nitrobenzaldehyde by competitive inhibition assay				J Med Chem 22: 1011-4 (1979) BindingDB Entry DOI: 10.7270/Q21C1ZD2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM86694 (N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...) Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3| Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 77-85 (2005) Article DOI: 10.1124/jpet.105.083964 BindingDB Entry DOI: 10.7270/Q2MW2FQQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50010331 (CHEMBL3251375) Show SMILES [H][C@@]12C=CN(C=C1C(=O)NC(O)C2CC)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:2,5| Show InChI InChI=1S/C25H36N7O18P3/c1-2-10-11-3-4-31(5-12(11)23(37)30-22(10)36)24-17(34)16(33)13(47-24)6-45-52(41,42)49-19-14(7-46-53(43,44)50-51(38,39)40)48-25(18(19)35)32-9-29-15-20(26)27-8-28-21(15)32/h3-5,8-11,13-14,16-19,22,24-25,33-36H,2,6-7H2,1H3,(H,30,37)(H,41,42)(H,43,44)(H2,26,27,28)(H2,38,39,40)/t10?,11-,13+,14+,16+,17+,18+,19+,22?,24+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of beef brain NADP-dependent aldehyde reductase using p-nitrobenzaldehyde by competitive inhibition assay				J Med Chem 22: 1011-4 (1979) BindingDB Entry DOI: 10.7270/Q21C1ZD2
					More data for this Ligand-Target Pair