Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'crowley' and Initial = 'j'   

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
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019689 (3-Chloro-11-oxo-11H-pyrido[2,1-b]quinazoline-8-car...) Show SMILES Clc1ccc2c(c1)nc1ccc(cn1c2=O)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C22H19ClN4O2/c23-17-7-8-18-19(12-17)26-20-9-6-16(14-27(20)22(18)29)21(28)25-11-2-1-4-15-5-3-10-24-13-15/h3,5-10,12-14H,1-2,4,11H2,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019678 (3-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...) Show SMILES COc1ccc2c(c1)nc1ccc(cn1c2=O)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C23H22N4O3/c1-30-18-8-9-19-20(13-18)26-21-10-7-17(15-27(21)23(19)29)22(28)25-12-3-2-5-16-6-4-11-24-14-16/h4,6-11,13-15H,2-3,5,12H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019683 (11-Oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic a...) Show SMILES O=C(NCCCCc1cccnc1)c1ccc2nc3ccccc3c(=O)n2c1 Show InChI InChI=1S/C22H20N4O2/c27-21(24-13-4-3-6-16-7-5-12-23-14-16)17-10-11-20-25-19-9-2-1-8-18(19)22(28)26(20)15-17/h1-2,5,7-12,14-15H,3-4,6,13H2,(H,24,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197181 (CHEMBL3899291) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1ccc2cc[nH]c(=O)c2c1 |r| Show InChI InChI=1S/C23H25NO7/c1-11-8-13(14-3-2-12-6-7-24-23(30)16(12)9-14)4-5-15(11)18(26)22-21(29)20(28)19(27)17(10-25)31-22/h2-9,17-22,25-29H,10H2,1H3,(H,24,30)/t17-,18-,19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50006812 (7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydro...) Show SMILES CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O Show InChI InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197182 (CHEMBL3961517) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1ccc2ccnc(N)c2c1 |r| Show InChI InChI=1S/C23H26N2O6/c1-11-8-13(14-3-2-12-6-7-25-23(24)16(12)9-14)4-5-15(11)18(27)22-21(30)20(29)19(28)17(10-26)31-22/h2-9,17-22,26-30H,10H2,1H3,(H2,24,25)/t17-,18-,19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197180 (CHEMBL3945119) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1ccc2CCNC(=O)c2c1 |r| Show InChI InChI=1S/C23H27NO7/c1-11-8-13(14-3-2-12-6-7-24-23(30)16(12)9-14)4-5-15(11)18(26)22-21(29)20(28)19(27)17(10-25)31-22/h2-5,8-9,17-22,25-29H,6-7,10H2,1H3,(H,24,30)/t17-,18-,19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50367404 (CHEMBL1202758) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCOc1cccnc1 Show InChI InChI=1S/C25H26N4O3/c1-17(2)18-7-9-22-21(14-18)25(31)29-16-19(8-10-23(29)28-22)24(30)27-12-3-4-13-32-20-6-5-11-26-15-20/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019670 (2-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...) Show SMILES Oc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C22H20N4O3/c27-17-7-8-19-18(12-17)22(29)26-14-16(6-9-20(26)25-19)21(28)24-11-2-1-4-15-5-3-10-23-13-15/h3,5-10,12-14,27H,1-2,4,11H2,(H,24,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019671 (2-Isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8...) Show SMILES CC(C)Oc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C25H26N4O3/c1-17(2)32-20-9-10-22-21(14-20)25(31)29-16-19(8-11-23(29)28-22)24(30)27-13-4-3-6-18-7-5-12-26-15-18/h5,7-12,14-17H,3-4,6,13H2,1-2H3,(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225202 (CHEMBL49572) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCCCC(O)=O)cc2c1C(C)=O)C(C)=O Show InChI InChI=1S/C30H34O8/c1-4-7-24-26(14-12-23(19(2)31)30(24)35)37-16-6-17-38-27-13-10-21-9-11-22(36-15-5-8-28(33)34)18-25(21)29(27)20(3)32/h9-14,18,35H,4-8,15-17H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197178 (CHEMBL3894223) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1cccc(c1)C(=O)NC |r| Show InChI InChI=1S/C22H27NO7/c1-11-8-13(12-4-3-5-14(9-12)22(29)23-2)6-7-15(11)17(25)21-20(28)19(27)18(26)16(10-24)30-21/h3-9,16-21,24-28H,10H2,1-2H3,(H,23,29)/t16-,17-,18-,19+,20+,21-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019684 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCCCc1cccnc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)21-10-12-24-23(16-21)27(33)31-18-22(11-13-25(31)30-24)26(32)29-15-6-4-3-5-8-20-9-7-14-28-17-20/h7,9-14,16-19H,3-6,8,15H2,1-2H3,(H,29,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019668 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1ccncc1 Show InChI InChI=1S/C25H26N4O2/c1-17(2)19-6-8-22-21(15-19)25(31)29-16-20(7-9-23(29)28-22)24(30)27-12-4-3-5-18-10-13-26-14-11-18/h6-11,13-17H,3-5,12H2,1-2H3,(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019680 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCCc1cccnc1 Show InChI InChI=1S/C26H28N4O2/c1-18(2)20-9-11-23-22(15-20)26(32)30-17-21(10-12-24(30)29-23)25(31)28-14-5-3-4-7-19-8-6-13-27-16-19/h6,8-13,15-18H,3-5,7,14H2,1-2H3,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019676 (2-Methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-car...) Show SMILES Cc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C23H22N4O2/c1-16-7-9-20-19(13-16)23(29)27-15-18(8-10-21(27)26-20)22(28)25-12-3-2-5-17-6-4-11-24-14-17/h4,6-11,13-15H,2-3,5,12H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019672 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCc1cccnc1 Show InChI InChI=1S/C24H24N4O2/c1-16(2)18-7-9-21-20(13-18)24(30)28-15-19(8-10-22(28)27-21)23(29)26-12-4-6-17-5-3-11-25-14-17/h3,5,7-11,13-16H,4,6,12H2,1-2H3,(H,26,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225201 (CHEMBL51531) Show SMILES CCCc1c(O)c(ccc1OCCOCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C30H40O9/c1-5-8-24-26(13-11-22(20(3)31)29(24)35)38-18-16-36-17-19-39-30-23(21(4)32)12-14-27(25(30)9-6-2)37-15-7-10-28(33)34/h11-14,35H,5-10,15-19H2,1-4H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225299 (CHEMBL301537) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C29H38O8/c1-5-10-23-25(14-12-21(19(3)30)28(23)34)35-16-8-7-9-17-36-29-22(20(4)31)13-15-26(24(29)11-6-2)37-18-27(32)33/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019665 (2,3-Dimethyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8...) Show SMILES Cc1cc2nc3ccc(cn3c(=O)c2cc1C)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C24H24N4O2/c1-16-12-20-21(13-17(16)2)27-22-9-8-19(15-28(22)24(20)30)23(29)26-11-4-3-6-18-7-5-10-25-14-18/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H,26,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019688 (2-Bromo-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carb...) Show SMILES Brc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C22H19BrN4O2/c23-17-7-8-19-18(12-17)22(29)27-14-16(6-9-20(27)26-19)21(28)25-11-2-1-4-15-5-3-10-24-13-15/h3,5-10,12-14H,1-2,4,11H2,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197172 (CHEMBL3936194) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2cc[nH]c(=O)c2c1 |r| Show InChI InChI=1S/C22H23NO7/c1-11-8-13(14-3-2-12-6-7-23-21(28)15(12)9-14)4-5-16(11)29-22-20(27)19(26)18(25)17(10-24)30-22/h2-9,17-20,22,24-27H,10H2,1H3,(H,23,28)/t17-,18-,19+,20+,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197173 (CHEMBL3923903) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1cccc2cnccc12 |r| Show InChI InChI=1S/C22H23NO6/c1-12-9-13(15-4-2-3-14-10-23-8-7-16(14)15)5-6-17(12)28-22-21(27)20(26)19(25)18(11-24)29-22/h2-10,18-22,24-27H,11H2,1H3/t18-,19-,20+,21+,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197185 (CHEMBL2058201) Show SMILES CNC(=O)c1cccc(c1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1 |r| Show InChI InChI=1S/C21H25NO7/c1-11-8-13(12-4-3-5-14(9-12)20(27)22-2)6-7-15(11)28-21-19(26)18(25)17(24)16(10-23)29-21/h3-9,16-19,21,23-26H,10H2,1-2H3,(H,22,27)/t16-,17-,18+,19+,21+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50223898 (CHEMBL300904) Show SMILES CCCc1c(O)c(ccc1OCCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C29H38O8/c1-5-9-23-25(14-12-21(19(3)30)28(23)34)36-17-8-18-37-29-22(20(4)31)13-15-26(24(29)10-6-2)35-16-7-11-27(32)33/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019686 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cncnc1 Show InChI InChI=1S/C24H25N5O2/c1-16(2)18-6-8-21-20(11-18)24(31)29-14-19(7-9-22(29)28-21)23(30)27-10-4-3-5-17-12-25-15-26-13-17/h6-9,11-16H,3-5,10H2,1-2H3,(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50224299 (CHEMBL48968) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1ccc2ccc(OCC(O)=O)cc2c1C(C)=O)C(C)=O Show InChI InChI=1S/C30H34O8/c1-4-8-24-26(14-12-23(19(2)31)30(24)35)36-15-6-5-7-16-37-27-13-10-21-9-11-22(38-18-28(33)34)17-25(21)29(27)20(3)32/h9-14,17,35H,4-8,15-16,18H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019673 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCCCCc1cccnc1 Show InChI InChI=1S/C28H32N4O2/c1-20(2)22-11-13-25-24(17-22)28(34)32-19-23(12-14-26(32)31-25)27(33)30-16-7-5-3-4-6-9-21-10-8-15-29-18-21/h8,10-15,17-20H,3-7,9,16H2,1-2H3,(H,30,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225105 (CHEMBL298523) Show SMILES CCCc1c(O)c(ccc1OCCOCCOc1c(CCC)c(OCCCCCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C32H44O9/c1-5-10-26-28(15-13-24(22(3)33)31(26)37)40-20-18-38-19-21-41-32-25(23(4)34)14-16-29(27(32)11-6-2)39-17-9-7-8-12-30(35)36/h13-16,37H,5-12,17-21H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019675 (2-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-ca...) Show SMILES COc1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C23H22N4O3/c1-30-18-8-9-20-19(13-18)23(29)27-15-17(7-10-21(27)26-20)22(28)25-12-3-2-5-16-6-4-11-24-14-16/h4,6-11,13-15H,2-3,5,12H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225107 (CHEMBL49914) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCC(O)=O)cc2c1C(C)=O)C(C)=O Show InChI InChI=1S/C28H30O8/c1-4-6-22-24(12-10-21(17(2)29)28(22)33)34-13-5-14-35-25-11-8-19-7-9-20(36-16-26(31)32)15-23(19)27(25)18(3)30/h7-12,15,33H,4-6,13-14,16H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225197 (CHEMBL50987) Show SMILES CCCc1c(O)c(ccc1OCCCOCCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C32H44O9/c1-5-10-26-28(15-13-24(22(3)33)31(26)37)40-20-8-17-38-18-9-21-41-32-25(23(4)34)14-16-29(27(32)11-6-2)39-19-7-12-30(35)36/h13-16,37H,5-12,17-21H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019681 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCn1ccnc1 Show InChI InChI=1S/C23H25N5O2/c1-16(2)17-5-7-20-19(13-17)23(30)28-14-18(6-8-21(28)26-20)22(29)25-9-3-4-11-27-12-10-24-15-27/h5-8,10,12-16H,3-4,9,11H2,1-2H3,(H,25,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019669 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCCCc1cccnc1 Show InChI InChI=1S/C25H26N4O2/c1-17(2)19-8-10-22-21(14-19)25(31)29-16-20(9-11-23(29)28-22)24(30)27-13-4-3-6-18-7-5-12-26-15-18/h5,7-12,14-17H,3-4,6,13H2,1-2H3,(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225199 (CHEMBL51034) Show SMILES CCCc1c(O)c(ccc1OCCOCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C28H36O9/c1-5-7-22-24(11-9-20(18(3)29)27(22)33)35-15-13-34-14-16-36-28-21(19(4)30)10-12-25(23(28)8-6-2)37-17-26(31)32/h9-12,33H,5-8,13-17H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197174 (CHEMBL3908258) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2CCNC(=O)c2c1 |r| Show InChI InChI=1S/C22H25NO7/c1-11-8-13(14-3-2-12-6-7-23-21(28)15(12)9-14)4-5-16(11)29-22-20(27)19(26)18(25)17(10-24)30-22/h2-5,8-9,17-20,22,24-27H,6-7,10H2,1H3,(H,23,28)/t17-,18-,19+,20+,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM7962 (4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...) Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1 Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50223883 (CHEMBL417904) Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCC(O)=O)cc2c1)C(C)=O Show InChI InChI=1S/C26H28O7/c1-3-5-23-24(11-10-22(17(2)27)26(23)30)32-13-4-12-31-20-8-6-18-7-9-21(15-19(18)14-20)33-16-25(28)29/h6-11,14-15,30H,3-5,12-13,16H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019667 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(CCc1cccnc1)NC(=O)c1ccc2nc3ccc(cc3c(=O)n2c1)C(C)C Show InChI InChI=1S/C25H26N4O2/c1-16(2)19-8-10-22-21(13-19)25(31)29-15-20(9-11-23(29)28-22)24(30)27-17(3)6-7-18-5-4-12-26-14-18/h4-5,8-17H,6-7H2,1-3H3,(H,27,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019666 (12-Oxo-7,9,10,12-tetrahydro-8H-benzo[g]pyrido[2,1-...) Show SMILES O=C(NCCCCc1cccnc1)c1ccc2nc3cc4CCCCc4cc3c(=O)n2c1 Show InChI InChI=1S/C26H26N4O2/c31-25(28-13-4-3-6-18-7-5-12-27-16-18)21-10-11-24-29-23-15-20-9-2-1-8-19(20)14-22(23)26(32)30(24)17-21/h5,7,10-12,14-17H,1-4,6,8-9,13H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197176 (CHEMBL3892524) Show SMILES Cc1cc(ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)-c1ccc2ccnc(N)c2c1 |r| Show InChI InChI=1S/C22H24N2O6/c1-11-8-13(14-3-2-12-6-7-24-21(23)15(12)9-14)4-5-16(11)29-22-20(28)19(27)18(26)17(10-25)30-22/h2-9,17-20,22,25-28H,10H2,1H3,(H2,23,24)/t17-,18-,19+,20+,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225200 (CHEMBL50813) Show SMILES CCCc1c(O)c(ccc1OCCCOCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C30H40O9/c1-5-9-24-26(13-11-22(20(3)31)29(24)35)37-17-7-15-36-16-8-18-38-30-23(21(4)32)12-14-27(25(30)10-6-2)39-19-28(33)34/h11-14,35H,5-10,15-19H2,1-4H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019677 (2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-...) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NC(C)(C)CCCc1cccnc1 Show InChI InChI=1S/C27H30N4O2/c1-18(2)20-9-11-23-22(15-20)26(33)31-17-21(10-12-24(31)29-23)25(32)30-27(3,4)13-5-7-19-8-6-14-28-16-19/h6,8-12,14-18H,5,7,13H2,1-4H3,(H,30,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225301 (CHEMBL430947) Show SMILES CCCc1c(O)c(ccc1OCCCOc1cccc(OCC(O)=O)c1)C(C)=O Show InChI InChI=1S/C22H26O7/c1-3-6-19-20(10-9-18(15(2)23)22(19)26)28-12-5-11-27-16-7-4-8-17(13-16)29-14-21(24)25/h4,7-10,13,26H,3,5-6,11-12,14H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50225198 (CHEMBL299396) Show SMILES CCCc1c(O)c(ccc1OCCCCOCCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O Show InChI InChI=1S/C32H44O9/c1-5-11-26-28(15-13-24(22(3)33)31(26)37)39-19-9-7-17-38-18-8-10-20-40-32-25(23(4)34)14-16-29(27(32)12-6-2)41-21-30(35)36/h13-16,37H,5-12,17-21H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of SRS-A-induced contractions in guinea pig ileum				J Med Chem 30: 173-8 (1987) BindingDB Entry DOI: 10.7270/Q2D220TJ
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197183 (CHEMBL3973443) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1C)-c1cccc2cnccc12 |r| Show InChI InChI=1S/C23H25NO6/c1-12-9-13(16-4-2-3-14-10-24-8-7-17(14)16)5-6-15(12)19(26)23-22(29)21(28)20(27)18(11-25)30-23/h2-10,18-23,25-29H,11H2,1H3/t18-,19-,20-,21+,22+,23-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50367395 (CHEMBL1202763) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)N(C)CCCCc1cccnc1 Show InChI InChI=1S/C26H28N4O2/c1-18(2)20-9-11-23-22(15-20)26(32)30-17-21(10-12-24(30)28-23)25(31)29(3)14-5-4-7-19-8-6-13-27-16-19/h6,8-13,15-18H,4-5,7,14H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50367398 (CHEMBL1202757) Show SMILES CC(C)c1ccc2nc3ccc(cn3c(=O)c2c1)C(=O)NCCSCc1cccnc1 Show InChI InChI=1S/C24H24N4O2S/c1-16(2)18-5-7-21-20(12-18)24(30)28-14-19(6-8-22(28)27-21)23(29)26-10-11-31-15-17-4-3-9-25-13-17/h3-9,12-14,16H,10-11,15H2,1-2H3,(H,26,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50197175 (CHEMBL3927866) Show SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccc(cc1)-c1cccc(c1)C(=O)NC |r| Show InChI InChI=1S/C21H25NO7/c1-22-21(28)14-4-2-3-13(9-14)11-5-7-12(8-6-11)16(24)20-19(27)18(26)17(25)15(10-23)29-20/h2-9,15-20,23-27H,10H2,1H3,(H,22,28)/t15-,16-,17-,18+,19+,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Fimbrion Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay				J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50019687 (CHEMBL1202755 | CHEMBL57825) Show SMILES CC(CCCc1cccnc1)NC(=O)c1ccc2nc3ccc(cc3c(=O)n2c1)C(C)C Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-9-11-23-22(14-20)26(32)30-16-21(10-12-24(30)29-23)25(31)28-18(3)6-4-7-19-8-5-13-27-15-19/h5,8-18H,4,6-7H2,1-3H3,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets				J Med Chem 30: 185-93 (1987) BindingDB Entry DOI: 10.7270/Q2222VBH
					More data for this Ligand-Target Pair

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