Compile Data Set for Download or QSAR

Found 12 hits of kd for UniProtKB: P13608   

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
Aggrecan core protein (Bos taurus)	BDBM50469191 (CHEMBL4277694) Show SMILES [I-].Cn1c(COP(=O)(NCCC[N+](C)(C)C)N(CCCl)CCCl)cnc1[N+]([O-])=O Show InChI InChI=1S/C15H30Cl2N6O4P.HI/c1-20-14(12-18-15(20)22(24)25)13-27-28(26,21(9-6-16)10-7-17)19-8-5-11-23(2,3)4;/h12H,5-11,13H2,1-4H3,(H,19,26);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.29E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469195 (CHEMBL4279260) Show SMILES [I-].CC[N+](C)(C)CCCCNP(=O)(OCc1cnc(n1C)[N+]([O-])=O)N(CCCl)CCCl Show InChI InChI=1S/C17H34Cl2N6O4P.HI/c1-5-25(3,4)13-7-6-10-21-30(28,23(11-8-18)12-9-19)29-15-16-14-20-17(22(16)2)24(26)27;/h14H,5-13,15H2,1-4H3,(H,21,28);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.02E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469192 (CHEMBL4284207) Show SMILES [I-].CC[N+](C)(CCCCNP(=O)(OCc1cnc(n1C)[N+]([O-])=O)N(CCCl)CCCl)Cc1ccccc1 Show InChI InChI=1S/C23H38Cl2N6O4P.HI/c1-4-31(3,19-21-10-6-5-7-11-21)17-9-8-14-27-36(34,29(15-12-24)16-13-25)35-20-22-18-26-23(28(22)2)30(32)33;/h5-7,10-11,18H,4,8-9,12-17,19-20H2,1-3H3,(H,27,34);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469193 (CHEMBL4290602) Show SMILES [I-].Cn1c(COP(=O)(NCCCCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+]([O-])=O Show InChI InChI=1S/C23H38Cl2N6O4P.HI/c1-28-22(18-26-23(28)30(32)33)20-35-36(34,29(15-12-24)16-13-25)27-14-8-5-9-17-31(2,3)19-21-10-6-4-7-11-21;/h4,6-7,10-11,18H,5,8-9,12-17,19-20H2,1-3H3,(H,27,34);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.55E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469200 (CHEMBL4289535) Show SMILES [I-].Cn1c(COP(=O)(NCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+]([O-])=O Show InChI InChI=1S/C20H32Cl2N6O4P.HI/c1-25-19(15-23-20(25)27(29)30)17-32-33(31,26(12-9-21)13-10-22)24-11-14-28(2,3)16-18-7-5-4-6-8-18;/h4-8,15H,9-14,16-17H2,1-3H3,(H,24,31);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469190 (CHEMBL4294007) Show SMILES [I-].Cn1c(COP(=O)(NCCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+]([O-])=O Show InChI InChI=1S/C21H34Cl2N6O4P.HI/c1-26-20(16-24-21(26)28(30)31)18-33-34(32,27(13-10-22)14-11-23)25-12-7-15-29(2,3)17-19-8-5-4-6-9-19;/h4-6,8-9,16H,7,10-15,17-18H2,1-3H3,(H,25,32);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.99E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469198 (CHEMBL4278857) Show SMILES [I-].CC[N+](C)(CCCCCNP(=O)(OCc1cnc(n1C)[N+]([O-])=O)N(CCCl)CCCl)Cc1ccccc1 Show InChI InChI=1S/C24H40Cl2N6O4P.HI/c1-4-32(3,20-22-11-7-5-8-12-22)18-10-6-9-15-28-37(35,30(16-13-25)17-14-26)36-21-23-19-27-24(29(23)2)31(33)34;/h5,7-8,11-12,19H,4,6,9-10,13-18,20-21H2,1-3H3,(H,28,35);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.47E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469199 (CHEMBL4282724) Show SMILES [I-].CC[N+](CC)(CC)CCCNP(=O)(OCc1cnc(n1C)[N+]([O-])=O)N(CCCl)CCCl Show InChI InChI=1S/C18H36Cl2N6O4P.HI/c1-5-26(6-2,7-3)14-8-11-22-31(29,24(12-9-19)13-10-20)30-16-17-15-21-18(23(17)4)25(27)28;/h15H,5-14,16H2,1-4H3,(H,22,29);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.49E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469201 (CHEMBL4283062) Show SMILES [I-].CC[N+](C)(C)CCCCCNP(=O)(OCc1cnc(n1C)[N+]([O-])=O)N(CCCl)CCCl Show InChI InChI=1S/C18H36Cl2N6O4P.HI/c1-5-26(3,4)14-8-6-7-11-22-31(29,24(12-9-19)13-10-20)30-16-17-15-21-18(23(17)2)25(27)28;/h15H,5-14,16H2,1-4H3,(H,22,29);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.56E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469196 (CHEMBL4290926) Show SMILES [I-].Cn1c(COP(=O)(NCCCCC[N+](C)(C)C)N(CCCl)CCCl)cnc1[N+]([O-])=O Show InChI InChI=1S/C17H34Cl2N6O4P.HI/c1-22-16(14-20-17(22)24(26)27)15-29-30(28,23(11-8-18)12-9-19)21-10-6-5-7-13-25(2,3)4;/h14H,5-13,15H2,1-4H3,(H,21,28);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.22E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469194 (CHEMBL4287185) Show SMILES [I-].CC[N+](C)(CC)CCCCNP(=O)(OCc1cnc(n1C)[N+]([O-])=O)N(CCCl)CCCl Show InChI InChI=1S/C18H36Cl2N6O4P.HI/c1-5-26(4,6-2)14-8-7-11-22-31(29,24(12-9-19)13-10-20)30-16-17-15-21-18(23(17)3)25(27)28;/h15H,5-14,16H2,1-4H3,(H,22,29);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.97E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair
Aggrecan core protein (Bos taurus)	BDBM50469197 (CHEMBL4286107) Show SMILES [I-].Cn1c(COP(=O)(NCCCC[N+](C)(C)Cc2ccccc2)N(CCCl)CCCl)cnc1[N+]([O-])=O Show InChI InChI=1S/C22H36Cl2N6O4P.HI/c1-27-21(17-25-22(27)29(31)32)19-34-35(33,28(14-11-23)15-12-24)26-13-7-8-16-30(2,3)18-20-9-5-4-6-10-20;/h4-6,9-10,17H,7-8,11-16,18-19H2,1-3H3,(H,26,33);1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.27E+6	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Binding affinity to bovine articular cartilage aggrecan by SPR analysis				Eur J Med Chem 158: 51-67 (2018) Article DOI: 10.1016/j.ejmech.2018.08.060 BindingDB Entry DOI: 10.7270/Q24170S5
					More data for this Ligand-Target Pair