Compile Data Set for Download or QSAR

Found 22 hits of kd data for polymerid = 50007079   

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
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50515277 (CHEMBL4436411) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C |r| Show InChI InChI=1S/C74H105N15O15/c1-11-43(10)63-73(102)80-52(65(94)81-53(30-40(4)5)69(98)88-62(42(8)9)74(103)104)27-19-20-28-76-59(91)34-57(68(97)82-55(32-45-35-77-50-25-17-15-23-47(45)50)67(96)83-56(70(99)89-63)33-46-36-78-51-26-18-16-24-48(46)51)84-71(100)58(38-90)86-66(95)54(31-44-21-13-12-14-22-44)85-72(101)61(41(6)7)87-60(92)37-79-64(93)49(75)29-39(2)3/h12-18,21-26,35-36,39-43,49,52-58,61-63,77-78,90H,11,19-20,27-34,37-38,75H2,1-10H3,(H,76,91)(H,79,93)(H,80,102)(H,81,94)(H,82,97)(H,83,96)(H,84,100)(H,85,101)(H,86,95)(H,87,92)(H,88,98)(H,89,99)(H,103,104)/t43-,49-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Ajou University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 assessed as dissociation constant up to 200 uM by surface plasmon resonance analysis				J Med Chem 62: 6495-6511 (2019) Article DOI: 10.1021/acs.jmedchem.9b00061 BindingDB Entry DOI: 10.7270/Q2NP27RX
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50515276 (CHEMBL4463337) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C73H107N15O15/c1-11-43(10)62(72(101)79-52(27-19-20-28-74)64(93)80-53(30-40(4)5)67(96)87-61(42(8)9)73(102)103)88-68(97)56(33-46-35-77-51-26-18-16-24-48(46)51)81-66(95)55(32-45-34-76-50-25-17-15-23-47(45)50)82-69(98)57(37-89)85-70(99)58(38-90)84-65(94)54(31-44-21-13-12-14-22-44)83-71(100)60(41(6)7)86-59(91)36-78-63(92)49(75)29-39(2)3/h12-18,21-26,34-35,39-43,49,52-58,60-62,76-77,89-90H,11,19-20,27-33,36-38,74-75H2,1-10H3,(H,78,92)(H,79,101)(H,80,93)(H,81,95)(H,82,98)(H,83,100)(H,84,94)(H,85,99)(H,86,91)(H,87,96)(H,88,97)(H,102,103)/t43-,49-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a
Ajou University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 assessed as dissociation constant up to 200 uM by surface plasmon resonance analysis				J Med Chem 62: 6495-6511 (2019) Article DOI: 10.1021/acs.jmedchem.9b00061 BindingDB Entry DOI: 10.7270/Q2NP27RX
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50271263 (CHEMBL4125910) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H28N4O9/c21-12(8-11-4-2-1-3-5-11)17(29)23-14(9-25)19(31)24-15(10-26)18(30)22-13(20(32)33)6-7-16(27)28/h1-5,12-15,25-26H,6-10,21H2,(H,22,30)(H,23,29)(H,24,31)(H,27,28)(H,32,33)/t12-,13-,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a
The Feinstein Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity to human MD-2 (17 to 160 residues) assessed as reduction in MD-2 binding to human HMGB1 after 7 mins by SPR assay				J Med Chem 61: 5093-5107 (2018) Article DOI: 10.1021/acs.jmedchem.7b01136 BindingDB Entry DOI: 10.7270/Q2XK8J1Z
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50255632 (CHEMBL4100044) Show SMILES CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCC |r| Show InChI InChI=1S/C34H67NO13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(37)35-31-33(46-30(38)26-24-22-20-18-16-14-12-10-8-6-4-2)32(47-49(39,40)41)28(27-36)45-34(31)48-50(42,43)44/h28,31-34,36H,3-27H2,1-2H3,(H,35,37)(H2,39,40,41)(H2,42,43,44)/t28-,31-,32-,33-,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL					Assay Description Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay				J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50587261 (CHEMBL5075055) Show SMILES OC1=C(CCC\C1=C/c1ccc(cc1)C(F)(F)F)C(=O)c1ccccc1 |t:1| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to MD2 (unknown origin) assessed as dissociation constant by spectrofluorimetric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2021.116442 BindingDB Entry DOI: 10.7270/Q2668J23
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50587262 (CHEMBL3601750) Show SMILES COc1ccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)c(OC)c1OC |c:20| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to MD2 (unknown origin) assessed as dissociation constant by spectrofluorimetric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2021.116442 BindingDB Entry DOI: 10.7270/Q2668J23
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50255625 (CHEMBL4070714) Show SMILES [Na+].[Na+].CCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCCCC |r| Show InChI InChI=1S/C30H59NO13P2.2Na/c1-3-5-7-9-11-13-15-17-19-21-25(33)31-27-29(42-26(34)22-20-18-16-14-12-10-8-6-4-2)28(43-45(35,36)37)24(23-32)41-30(27)44-46(38,39)40;;/h24,27-30,32H,3-23H2,1-2H3,(H,31,33)(H2,35,36,37)(H2,38,39,40);;/q;2*+1/p-2/t24-,27-,28-,29-,30-;;/m1../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL					Assay Description Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay				J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50255626 (CHEMBL4069693) Show SMILES [Na+].[Na+].CCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCC |r| Show InChI InChI=1S/C26H51NO13P2.2Na/c1-3-5-7-9-11-13-15-17-21(29)27-23-25(38-22(30)18-16-14-12-10-8-6-4-2)24(39-41(31,32)33)20(19-28)37-26(23)40-42(34,35)36;;/h20,23-26,28H,3-19H2,1-2H3,(H,27,29)(H2,31,32,33)(H2,34,35,36);;/q;2*+1/p-2/t20-,23-,24-,25-,26-;;/m1../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL					Assay Description Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay				J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50525780 (CHEMBL4452033) Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc2CCCc2c1 Show InChI InChI=1S/C16H15NO4/c18-13-7-11(8-14(19)15(13)20)16(21)17-12-5-4-9-2-1-3-10(9)6-12/h4-8,18-20H,1-3H2,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115049 BindingDB Entry DOI: 10.7270/Q2TX3JTW
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50284547 (CHEMBL4161646) Show SMILES Cc1ncsc1\C=C\C(=O)NC(Cc1ccc(O)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H24N2O4S/c1-13-17(27-12-21-13)9-10-18(24)22-16(19(25)26-20(2,3)4)11-14-5-7-15(23)8-6-14/h5-10,12,16,23H,11H2,1-4H3,(H,22,24)/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to human recombinant MD2 by SPR analysis				Eur J Med Chem 143: 361-375 (2018) Article DOI: 10.1016/j.ejmech.2017.11.066 BindingDB Entry DOI: 10.7270/Q2SB488M
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50157621 (CHEMBL3787558) Show SMILES COc1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1 Show InChI InChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50458115 (CHEMBL1224773) Show SMILES COc1cc(\C=C2/CN(C)C\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C26H31NO7/c1-27-14-18(8-16-10-20(29-2)25(33-6)21(11-16)30-3)24(28)19(15-27)9-17-12-22(31-4)26(34-7)23(13-17)32-5/h8-13H,14-15H2,1-7H3/b18-8+,19-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.95E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Eur J Med Chem 148: 291-305 (2018) Article DOI: 10.1016/j.ejmech.2018.02.008 BindingDB Entry DOI: 10.7270/Q23X897R
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50255633 (CHEMBL4091601) Show SMILES [Na+].[Na+].CCCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C38H75NO13P2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(41)39-35-37(36(51-53(43,44)45)32(31-40)49-38(35)52-54(46,47)48)50-34(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h32,35-38,40H,3-31H2,1-2H3,(H,39,41)(H2,43,44,45)(H2,46,47,48);;/q;2*+1/p-2/t32-,35-,36-,37-,38-;;/m1../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy. Curated by ChEMBL					Assay Description Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay				J Med Chem 61: 2895-2909 (2018) Article DOI: 10.1021/acs.jmedchem.7b01803 BindingDB Entry DOI: 10.7270/Q21N83KC
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.11E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Eur J Med Chem 148: 291-305 (2018) Article DOI: 10.1016/j.ejmech.2018.02.008 BindingDB Entry DOI: 10.7270/Q23X897R
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50277590 (CHEMBL4164940) Show SMILES COc1cccc(\C=C\C(=O)\C=C\c2ccc(O)c(Br)c2)c1OC Show InChI InChI=1S/C19H17BrO4/c1-23-18-5-3-4-14(19(18)24-2)8-10-15(21)9-6-13-7-11-17(22)16(20)12-13/h3-12,22H,1-2H3/b9-6+,10-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to MD2 (unknown origin) by SPR assay				Eur J Med Chem 139: 726-740 (2017) Article DOI: 10.1016/j.ejmech.2017.08.036 BindingDB Entry DOI: 10.7270/Q2HM5BZ2
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50277589 (CHEMBL4162528) Show SMILES COc1ccccc1\C=C\C(=O)\C=C\c1ccccc1Br Show InChI InChI=1S/C18H15BrO2/c1-21-18-9-5-3-7-15(18)11-13-16(20)12-10-14-6-2-4-8-17(14)19/h2-13H,1H3/b12-10+,13-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description In vitro inhibition against TXA2/PGH2 receptor using [3H]-SQ 29,548 as radioligand in human platelet membrane preparation				Eur J Med Chem 139: 726-740 (2017) Article DOI: 10.1016/j.ejmech.2017.08.036 BindingDB Entry DOI: 10.7270/Q2HM5BZ2
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50525782 (CHEMBL4546657) Show SMILES COc1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1OC Show InChI InChI=1S/C16H17NO6/c1-22-13-4-3-9(5-14(13)23-2)8-17-16(21)10-6-11(18)15(20)12(19)7-10/h3-7,18-20H,8H2,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115049 BindingDB Entry DOI: 10.7270/Q2TX3JTW
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50501804 (CHEMBL4517719) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccc2[nH]nc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C22H14Cl2N4O/c23-16-2-1-3-17(24)20(16)22(29)26-14-5-7-19-15(11-14)21(28-27-19)13-4-6-18-12(10-13)8-9-25-18/h1-11,25H,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human 10His-tagged MD2 (Glu17 to Asn160 residues) expressed in Escherichia coli by surface plasmon resonance analysis				J Med Chem 62: 5453-5469 (2019) Article DOI: 10.1021/acs.jmedchem.9b00316 BindingDB Entry DOI: 10.7270/Q2668HFM
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50277588 (CHEMBL4176576) Show SMILES COc1ccccc1\C=C\C(=O)\C=C\c1ccc(O)c(Br)c1 Show InChI InChI=1S/C18H15BrO3/c1-22-18-5-3-2-4-14(18)8-10-15(20)9-6-13-7-11-17(21)16(19)12-13/h2-12,21H,1H3/b9-6+,10-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to MD2 (unknown origin) by SPR assay				Eur J Med Chem 139: 726-740 (2017) Article DOI: 10.1016/j.ejmech.2017.08.036 BindingDB Entry DOI: 10.7270/Q2HM5BZ2
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.79E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
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Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50384998 (CVD-0019905 | XANTHOHUMOL) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50525781 (CHEMBL4539269) Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc2cc[nH]c2c1 Show InChI InChI=1S/C15H12N2O4/c18-12-5-9(6-13(19)14(12)20)15(21)17-10-2-1-8-3-4-16-11(8)7-10/h1-7,16,18-20H,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.70E+6	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115049 BindingDB Entry DOI: 10.7270/Q2TX3JTW
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