Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'bock' and Initial = 'd'   

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
Cyclic GMP-AMP synthase (Homo sapiens)	BDBM17051 (BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...) Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of cGAS in human THP1 cells assessed as reduction in salmon sperm dsDNA-induced IFN-beta expression preincubated for 1 hr followed by dsDN...				PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205383 ((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205368 ((5-{3-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1cccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)c1 Show InChI InChI=1S/C25H19NO6S/c27-20-9-8-19(23(30)24(20)31)14-3-1-5-16(11-14)25(32)26-17-6-2-4-15(12-17)21-10-7-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205383 ((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205396 (3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...) Show SMILES OC(=O)c1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205377 (CHEMBL220254 | {2'-[(3,4,5-trihydroxybenzoyl)oxy]-...) Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H16O7/c22-16-10-14(11-17(23)20(16)26)21(27)28-18-7-2-1-6-15(18)13-5-3-4-12(8-13)9-19(24)25/h1-8,10-11,22-23,26H,9H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205385 (CHEMBL220255 | {3-[2-(3,4,5-trihydroxy-phenyl)-ace...) Show SMILES OC(=O)Cc1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)16(12)23)7-14(20)17-11-3-1-2-9(4-11)8-15(21)22/h1-6,18-19,23H,7-8H2,(H,17,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205368 ((5-{3-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1cccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)c1 Show InChI InChI=1S/C25H19NO6S/c27-20-9-8-19(23(30)24(20)31)14-3-1-5-16(11-14)25(32)26-17-6-2-4-15(12-17)21-10-7-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205396 (3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...) Show SMILES OC(=O)c1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205394 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205403 (5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...) Show SMILES OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C24H17NO6S/c26-18-9-8-15(21(27)22(18)28)13-4-3-5-14(12-13)23(29)25-17-7-2-1-6-16(17)19-10-11-20(32-19)24(30)31/h1-12,26-28H,(H,25,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205371 (4-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1ccc(cc1NC(=O)CCc1cc(O)c(O)c(O)c1)C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-2-4-11(17(23)24)8-12(9)18-15(21)5-3-10-6-13(19)16(22)14(20)7-10/h2,4,6-8,19-20,22H,3,5H2,1H3,(H,18,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205396 (3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...) Show SMILES OC(=O)c1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205377 (CHEMBL220254 | {2'-[(3,4,5-trihydroxybenzoyl)oxy]-...) Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H16O7/c22-16-10-14(11-17(23)20(16)26)21(27)28-18-7-2-1-6-15(18)13-5-3-4-12(8-13)9-19(24)25/h1-8,10-11,22-23,26H,9H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205403 (5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...) Show SMILES OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C24H17NO6S/c26-18-9-8-15(21(27)22(18)28)13-4-3-5-14(12-13)23(29)25-17-7-2-1-6-16(17)19-10-11-20(32-19)24(30)31/h1-12,26-28H,(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205394 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
Cyclic GMP-AMP synthase (Homo sapiens)	BDBM50250108 (CHEMBL4096573) Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...				PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J
					More data for this Ligand-Target Pair				3D Structure (crystal)
P-selectin (Homo sapiens (Human))	BDBM50205385 (CHEMBL220255 | {3-[2-(3,4,5-trihydroxy-phenyl)-ace...) Show SMILES OC(=O)Cc1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)16(12)23)7-14(20)17-11-3-1-2-9(4-11)8-15(21)22/h1-6,18-19,23H,7-8H2,(H,17,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205375 (CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...) Show SMILES OC(=O)Cc1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205375 (CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...) Show SMILES OC(=O)Cc1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205375 (CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...) Show SMILES OC(=O)Cc1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205384 ((5-{2-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-ph...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C20H17NO6S/c22-15-7-11(8-16(23)20(15)27)9-18(24)21-14-4-2-1-3-13(14)17-6-5-12(28-17)10-19(25)26/h1-8,22-23,27H,9-10H2,(H,21,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205370 (4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)| Show InChI InChI=1S/C15H19NO6/c17-11-5-8(6-12(18)14(11)20)7-13(19)16-10-3-1-9(2-4-10)15(21)22/h5-6,9-10,17-18,20H,1-4,7H2,(H,16,19)(H,21,22)/t9-,10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205371 (4-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1ccc(cc1NC(=O)CCc1cc(O)c(O)c(O)c1)C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-2-4-11(17(23)24)8-12(9)18-15(21)5-3-10-6-13(19)16(22)14(20)7-10/h2,4,6-8,19-20,22H,3,5H2,1H3,(H,18,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205370 (4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)| Show InChI InChI=1S/C15H19NO6/c17-11-5-8(6-12(18)14(11)20)7-13(19)16-10-3-1-9(2-4-10)15(21)22/h5-6,9-10,17-18,20H,1-4,7H2,(H,16,19)(H,21,22)/t9-,10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205384 ((5-{2-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-ph...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C20H17NO6S/c22-15-7-11(8-16(23)20(15)27)9-18(24)21-14-4-2-1-3-13(14)17-6-5-12(28-17)10-19(25)26/h1-8,22-23,27H,9-10H2,(H,21,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205401 (4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)| Show InChI InChI=1S/C16H21NO6/c18-12-7-9(8-13(19)15(12)21)1-6-14(20)17-11-4-2-10(3-5-11)16(22)23/h7-8,10-11,18-19,21H,1-6H2,(H,17,20)(H,22,23)/t10-,11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205384 ((5-{2-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-ph...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C20H17NO6S/c22-15-7-11(8-16(23)20(15)27)9-18(24)21-14-4-2-1-3-13(14)17-6-5-12(28-17)10-19(25)26/h1-8,22-23,27H,9-10H2,(H,21,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205370 (4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)| Show InChI InChI=1S/C15H19NO6/c17-11-5-8(6-12(18)14(11)20)7-13(19)16-10-3-1-9(2-4-10)15(21)22/h5-6,9-10,17-18,20H,1-4,7H2,(H,16,19)(H,21,22)/t9-,10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205401 (4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)| Show InChI InChI=1S/C16H21NO6/c18-12-7-9(8-13(19)15(12)21)1-6-14(20)17-11-4-2-10(3-5-11)16(22)23/h7-8,10-11,18-19,21H,1-6H2,(H,17,20)(H,22,23)/t10-,11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205374 ((5-{2-[3-(2,3,4-trihydroxy-phenyl)-acryloylamino]-...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C21H17NO6S/c23-16-8-5-12(20(27)21(16)28)6-10-18(24)22-15-4-2-1-3-14(15)17-9-7-13(29-17)11-19(25)26/h1-10,23,27-28H,11H2,(H,22,24)(H,25,26)/b10-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205392 ((5-{2-[2-(2',3',4'-trihydroxy-biphenyl-3-yl)-acety...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C26H21NO6S/c28-21-10-9-18(25(32)26(21)33)16-5-3-4-15(12-16)13-23(29)27-20-7-2-1-6-19(20)22-11-8-17(34-22)14-24(30)31/h1-12,28,32-33H,13-14H2,(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205371 (4-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1ccc(cc1NC(=O)CCc1cc(O)c(O)c(O)c1)C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-2-4-11(17(23)24)8-12(9)18-15(21)5-3-10-6-13(19)16(22)14(20)7-10/h2,4,6-8,19-20,22H,3,5H2,1H3,(H,18,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205376 ((2'-{[(3,4,5-trihydroxyphenyl)acetyl]amino}-1,1'-b...) Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H19NO6/c24-18-9-14(10-19(25)22(18)29)11-20(26)23-17-7-2-1-6-16(17)15-5-3-4-13(8-15)12-21(27)28/h1-10,24-25,29H,11-12H2,(H,23,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205374 ((5-{2-[3-(2,3,4-trihydroxy-phenyl)-acryloylamino]-...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C21H17NO6S/c23-16-8-5-12(20(27)21(16)28)6-10-18(24)22-15-4-2-1-3-14(15)17-9-7-13(29-17)11-19(25)26/h1-10,23,27-28H,11H2,(H,22,24)(H,25,26)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
Cyclic GMP-AMP synthase (Homo sapiens)	BDBM50250108 (CHEMBL4096573) Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...				PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J
					More data for this Ligand-Target Pair				3D Structure (crystal)
E-selectin (Homo sapiens (Human))	BDBM50205376 ((2'-{[(3,4,5-trihydroxyphenyl)acetyl]amino}-1,1'-b...) Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H19NO6/c24-18-9-14(10-19(25)22(18)29)11-20(26)23-17-7-2-1-6-16(17)15-5-3-4-13(8-15)12-21(27)28/h1-10,24-25,29H,11-12H2,(H,23,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205401 (4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)| Show InChI InChI=1S/C16H21NO6/c18-12-7-9(8-13(19)15(12)21)1-6-14(20)17-11-4-2-10(3-5-11)16(22)23/h7-8,10-11,18-19,21H,1-6H2,(H,17,20)(H,22,23)/t10-,11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205389 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-17(23(30)24(20)31)14-4-3-5-15(12-14)25(32)26-19-7-2-1-6-18(19)21-11-8-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205404 ((5-{2-[2-(2,3,4-trihydroxy-phenyl)-acetylamino]-ph...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1ccc(O)c(O)c1O Show InChI InChI=1S/C20H17NO6S/c22-15-7-5-11(19(26)20(15)27)9-17(23)21-14-4-2-1-3-13(14)16-8-6-12(28-16)10-18(24)25/h1-8,22,26-27H,9-10H2,(H,21,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
Cyclic GMP-AMP synthase (Homo sapiens)	BDBM50250111 (CHEMBL4084664) Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...				PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J
					More data for this Ligand-Target Pair				3D Structure (crystal)
E-selectin (Homo sapiens (Human))	BDBM50205400 (2-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-11(17(23)24)3-2-4-12(9)18-15(21)6-5-10-7-13(19)16(22)14(20)8-10/h2-4,7-8,19-20,22H,5-6H2,1H3,(H,18,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205393 (4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...) Show SMILES OC(=O)c1ccc(CNC(=O)CCc2cc(O)c(O)c(O)c2)cc1 Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)16(13)22)3-6-15(21)18-9-10-1-4-12(5-2-10)17(23)24/h1-2,4-5,7-8,19-20,22H,3,6,9H2,(H,18,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205376 ((2'-{[(3,4,5-trihydroxyphenyl)acetyl]amino}-1,1'-b...) Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H19NO6/c24-18-9-14(10-19(25)22(18)29)11-20(26)23-17-7-2-1-6-16(17)15-5-3-4-13(8-15)12-21(27)28/h1-10,24-25,29H,11-12H2,(H,23,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205373 (4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...) Show SMILES OC(=O)c1ccc(CNC(=O)Cc2cc(O)c(O)c(O)c2)cc1 Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)15(12)21)7-14(20)17-8-9-1-3-11(4-2-9)16(22)23/h1-6,18-19,21H,7-8H2,(H,17,20)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205392 ((5-{2-[2-(2',3',4'-trihydroxy-biphenyl-3-yl)-acety...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C26H21NO6S/c28-21-10-9-18(25(32)26(21)33)16-5-3-4-15(12-16)13-23(29)27-20-7-2-1-6-19(20)22-11-8-17(34-22)14-24(30)31/h1-12,28,32-33H,13-14H2,(H,27,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205383 ((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
L-selectin (Homo sapiens (Human))	BDBM50205389 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-17(23(30)24(20)31)14-4-3-5-15(12-14)25(32)26-19-7-2-1-6-18(19)21-11-8-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205395 ((5-{2-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H19NO6S/c23-16-9-12(10-17(24)21(16)28)5-8-19(25)22-15-4-2-1-3-14(15)18-7-6-13(29-18)11-20(26)27/h1-4,6-7,9-10,23-24,28H,5,8,11H2,(H,22,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
Cyclic GMP-AMP synthase (Homo sapiens)	BDBM50250109 (CHEMBL4062994) Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...				PLoS ONE 12: (2017) Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J
					More data for this Ligand-Target Pair

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