Compile Data Set for Download or QSAR

Found 492 hits with Last Name = 'mata' and Initial = 'r'   

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
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GABBA alpha5 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GABBA alpha1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GABBA alpha2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to mu-opioid receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GABBA alpha3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to kappa-opioid receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to delta-opioid receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT5A (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GABBA alpha6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50341204 ((Z)-3-butylidenephthalide | CHEMBL1765390) Show SMILES CCC\C=C1\OC(=O)c2ccccc12 Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Mixed type inhibition of baker's yeast alpha-glucosidase by Dixon plot analysis				J Nat Prod 76: 468-83 (2013) Article DOI: 10.1021/np300869g BindingDB Entry DOI: 10.7270/Q28P61WB
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21955 (4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...) Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H13N5O5/c11-8-4-5(9(19)14-13-8)15(2-12-4)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21953 (4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...) Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r| Show InChI InChI=1S/C10H13N5O4/c11-9-7-8(10(18)14-13-9)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	-28.1	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50266275 (CHEMBL456494 | Tajixanthone hydrate) Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O |r| Show InChI InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Guanine deaminase (Homo sapiens (Human))	BDBM50193757 (3-benzyl-4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imi...) Show SMILES OCC1NC(=O)c2ncn(Cc3ccccc3)c2NC1=O Show InChI InChI=1S/C14H14N4O3/c19-7-10-13(20)17-12-11(14(21)16-10)15-8-18(12)6-9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H,16,21)(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rabbit liver guanase				Bioorg Med Chem Lett 16: 5551-4 (2006) Article DOI: 10.1016/j.bmcl.2006.08.033 BindingDB Entry DOI: 10.7270/Q2FB52J0
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50266274 (14-methoxytajixanthone | CHEMBL515370) Show SMILES CO[C@H]([C@@H]1OC1(C)C)c1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C |r| Show InChI InChI=1S/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21957 (4-(hydrazinocarbonyl)-1-beta-D-ribofuranosyl-1H-im...) Show SMILES NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C10H17N7O5/c11-8(15-12)5-4(9(21)16-13)14-2-17(5)10-7(20)6(19)3(1-18)22-10/h2-3,6-7,10,18-20H,1,12-13H2,(H2,11,15)(H,16,21)/t3-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.65E+4	-26.1	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21956 (7-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...) Show SMILES Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r| Show InChI InChI=1S/C10H13N5O5/c11-8-5-4(9(19)14-13-8)12-2-15(5)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.14E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21954 (7-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...) Show SMILES Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r| Show InChI InChI=1S/C10H13N5O4/c11-9-8-7(10(18)14-13-9)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Guanine deaminase (Homo sapiens (Human))	BDBM50193756 (4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imidazo[4,5-...) Show SMILES OCC1NC(=O)c2[nH]cnc2NC1=O Show InChI InChI=1S/C7H8N4O3/c12-1-3-6(13)11-5-4(7(14)10-3)8-2-9-5/h2-3,12H,1H2,(H,8,9)(H,10,14)(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rabbit liver guanase				Bioorg Med Chem Lett 16: 5551-4 (2006) Article DOI: 10.1016/j.bmcl.2006.08.033 BindingDB Entry DOI: 10.7270/Q2FB52J0
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50333465 ((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Auto£?noma de Me£?xico Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...				J Nat Prod 74: 314-20 (2011) Article DOI: 10.1021/np100447a BindingDB Entry DOI: 10.7270/Q25D8S53
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50341204 ((Z)-3-butylidenephthalide | CHEMBL1765390) Show SMILES CCC\C=C1\OC(=O)c2ccccc12 Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.86E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Auto£?noma de Me£?xico Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...				J Nat Prod 74: 314-20 (2011) Article DOI: 10.1021/np100447a BindingDB Entry DOI: 10.7270/Q25D8S53
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247344 (US9447091, 131) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(cnc12)-c1cnn(C)c1)-c1ccc(F)cc1F Show InChI InChI=1S/C24H18F2N6O/c1-14(33)30-19-5-15(21-4-3-18(25)8-22(21)26)6-20(9-19)32-13-28-23-7-16(10-27-24(23)32)17-11-29-31(2)12-17/h3-13H,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247340 (US9447091, 112) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-c1cn(CCC(C)(C)O)nn1)-n1cccc1 Show InChI InChI=1S/C26H27N7O2/c1-18(34)28-20-13-21(31-9-4-5-10-31)15-22(14-20)33-17-27-23-12-19(6-7-25(23)33)24-16-32(30-29-24)11-8-26(2,3)35/h4-7,9-10,12-17,35H,8,11H2,1-3H3,(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056588 ((S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethyn...) Show SMILES C[C@@H](CC(O)=O)N1CC(=O)N(c2c(Cl)cc(cc2C1=O)C#Cc1ccc(cc1)C(N)=N)C(C)(C)C Show InChI InChI=1S/C26H27ClN4O4/c1-15(11-22(33)34)30-14-21(32)31(26(2,3)4)23-19(25(30)35)12-17(13-20(23)27)6-5-16-7-9-18(10-8-16)24(28)29/h7-10,12-13,15H,11,14H2,1-4H3,(H3,28,29)(H,33,34)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056588 ((S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethyn...) Show SMILES C[C@@H](CC(O)=O)N1CC(=O)N(c2c(Cl)cc(cc2C1=O)C#Cc1ccc(cc1)C(N)=N)C(C)(C)C Show InChI InChI=1S/C26H27ClN4O4/c1-15(11-22(33)34)30-14-21(32)31(26(2,3)4)23-19(25(30)35)12-17(13-20(23)27)6-5-16-7-9-18(10-8-16)24(28)29/h7-10,12-13,15H,11,14H2,1-4H3,(H3,28,29)(H,33,34)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247357 (US9447091, 241) Show SMILES Cn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(NC(=O)Cn2cncn2)cc(c1)-c1ccc(F)cc1F Show InChI InChI=1S/C27H20F2N8O/c1-35-12-19(11-32-35)17-2-5-26-25(8-17)31-16-37(26)22-7-18(23-4-3-20(28)9-24(23)29)6-21(10-22)34-27(38)13-36-15-30-14-33-36/h2-12,14-16H,13H2,1H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056589 ((S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethyn...) Show SMILES C[C@@H](CC(O)=O)N1CC(=O)N(c2ccc(cc2C1=O)C#Cc1ccc(cc1)C(N)=N)C(C)(C)C Show InChI InChI=1S/C26H28N4O4/c1-16(13-23(32)33)29-15-22(31)30(26(2,3)4)21-12-9-18(14-20(21)25(29)34)6-5-17-7-10-19(11-8-17)24(27)28/h7-12,14,16H,13,15H2,1-4H3,(H3,27,28)(H,32,33)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate; 3:1 mixture enriched in the faster eluting diastereoisomer				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247334 (US9447091, 49) Show SMILES CCS(=O)(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-c1cn(CCN2CCOCC2)nn1)-c1ccc(F)cc1F Show InChI InChI=1S/C29H29F2N7O3S/c1-2-42(39,40)34-23-13-21(25-5-4-22(30)16-26(25)31)14-24(17-23)38-19-32-27-15-20(3-6-29(27)38)28-18-37(35-33-28)8-7-36-9-11-41-12-10-36/h3-6,13-19,34H,2,7-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247361 (US9447091, 220) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-c1cnn(CCC(C)(C)O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FN5O2/c1-19(36)33-25-12-22(20-4-7-24(30)8-5-20)13-26(15-25)35-18-31-27-14-21(6-9-28(27)35)23-16-32-34(17-23)11-10-29(2,3)37/h4-9,12-18,37H,10-11H2,1-3H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247328 (US9447091, 22) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-c1cnco1)-c1ccc(F)cc1F Show InChI InChI=1S/C24H16F2N4O2/c1-14(31)29-18-6-16(20-4-3-17(25)9-21(20)26)7-19(10-18)30-12-28-22-8-15(2-5-23(22)30)24-11-27-13-32-24/h2-13H,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50476133 (CHEMBL373571 | VRX-480773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1 |(8.64,-5.93,;8.16,-7.4,;6.7,-6.92,;7.69,-8.86,;9.63,-7.87,;10.77,-6.84,;12.24,-7.32,;12.56,-8.83,;14.02,-9.3,;15.17,-8.27,;14.85,-6.76,;16.63,-8.75,;17.78,-7.72,;19.24,-8.19,;19.72,-9.66,;21.26,-9.66,;21.73,-8.19,;23.2,-7.72,;20.49,-7.29,;20.49,-5.75,;19.15,-4.98,;19.15,-3.44,;20.49,-2.67,;20.49,-1.13,;19.72,.21,;21.26,.21,;21.82,-3.44,;23.15,-2.67,;24.49,-3.44,;24.49,-4.98,;23.15,-5.75,;21.82,-4.98,;11.41,-9.86,;11.73,-11.36,;9.95,-9.38,)| Show InChI InChI=1S/C23H19BrClN5O3S2/c24-22-28-29-23(34-12-21(31)27-19-9-7-14(11-18(19)25)35(26,32)33)30(22)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20/h1-4,7-11,13H,5-6,12H2,(H,27,31)(H2,26,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Antimicrob Agents Chemother 51: 429-37 (2007) Article DOI: 10.1128/aac.01032-06 BindingDB Entry DOI: 10.7270/Q2QC0680
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247354 (US9447091, 190) Show SMILES COc1ccc(c(F)c1)-c1cc(NC(C)=O)cc(c1)-n1cnc2cc(ccc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H22FN5O2/c1-16(33)30-20-8-18(23-6-5-22(34-3)12-24(23)27)9-21(11-20)32-15-28-25-10-17(4-7-26(25)32)19-13-29-31(2)14-19/h4-15H,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056584 ((S)-3-[7-(4-Carbamimidoyl-phenylethynyl)-1-methyl-...) Show SMILES C[C@@H](CC(O)=O)N1CC(=O)N(C)c2ccc(cc2C1=O)C#Cc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H22N4O4/c1-14(11-21(29)30)27-13-20(28)26(2)19-10-7-16(12-18(19)23(27)31)4-3-15-5-8-17(9-6-15)22(24)25/h5-10,12,14H,11,13H2,1-2H3,(H3,24,25)(H,29,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056586 ((S)-3-[7-(4-Carbamimidoyl-phenylethynyl)-9-chloro-...) Show SMILES C[C@@H](CC(O)=O)N1CC(=O)N(C)c2c(Cl)cc(cc2C1=O)C#Cc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H21ClN4O4/c1-13(9-20(30)31)28-12-19(29)27(2)21-17(23(28)32)10-15(11-18(21)24)4-3-14-5-7-16(8-6-14)22(25)26/h5-8,10-11,13H,9,12H2,1-2H3,(H3,25,26)(H,30,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247333 (US9447091, 47) Show SMILES CC(C)(O)CCn1cc(nn1)-c1ccc2n(cnc2c1)-c1cc(NS(=O)(=O)C2CC2)cc(c1)-c1ccc(F)cc1F Show InChI InChI=1S/C29H28F2N6O3S/c1-29(2,38)9-10-36-16-27(33-35-36)18-3-8-28-26(13-18)32-17-37(28)22-12-19(24-7-4-20(30)14-25(24)31)11-21(15-22)34-41(39,40)23-5-6-23/h3-4,7-8,11-17,23,34,38H,5-6,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247348 (US9447091, 152) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-n1cccn1)-c1c(F)cccc1F Show InChI InChI=1S/C24H17F2N5O/c1-15(32)29-17-10-16(24-20(25)4-2-5-21(24)26)11-19(12-17)30-14-27-22-13-18(6-7-23(22)30)31-9-3-8-28-31/h2-14H,1H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247360 (US9447091, 281) Show SMILES Cn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(Nc2nccs2)cc(c1)-c1ccc(F)cc1F Show InChI InChI=1S/C26H18F2N6S/c1-33-14-18(13-31-33)16-2-5-25-24(10-16)30-15-34(25)21-9-17(22-4-3-19(27)11-23(22)28)8-20(12-21)32-26-29-6-7-35-26/h2-15H,1H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247363 (US9447091, 294) Show SMILES CS(=O)(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-c1cnn(CCN2CCOCC2)c1)-c1ncccc1F Show InChI InChI=1S/C28H28FN7O3S/c1-40(37,38)33-23-13-21(28-25(29)3-2-6-30-28)14-24(16-23)36-19-31-26-15-20(4-5-27(26)36)22-17-32-35(18-22)8-7-34-9-11-39-12-10-34/h2-6,13-19,33H,7-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247336 (US9447091, 70) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-n1cccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H18FN5O/c1-16(31)28-20-11-18(17-3-5-19(25)6-4-17)12-22(13-20)29-15-26-23-14-21(7-8-24(23)29)30-10-2-9-27-30/h2-15H,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247356 (US9447091, 217) Show SMILES CNS(=O)(=O)N(C)c1cc(cc(c1)-n1cnc2cc(cnc12)-c1cnn(c1)C(C)C)-c1ccc(F)cc1F Show InChI InChI=1S/C26H25F2N7O2S/c1-16(2)35-14-19(13-32-35)18-9-25-26(30-12-18)34(15-31-25)22-8-17(23-6-5-20(27)10-24(23)28)7-21(11-22)33(4)38(36,37)29-3/h5-16,29H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056587 (3-[7-(4-Carbamimidoyl-phenylethynyl)-1-methyl-2,5-...) Show SMILES CN1c2ccc(cc2C(=O)N(CCC(O)=O)CC1=O)C#Cc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H20N4O4/c1-25-18-9-6-15(3-2-14-4-7-16(8-5-14)21(23)24)12-17(18)22(30)26(13-19(25)27)11-10-20(28)29/h4-9,12H,10-11,13H2,1H3,(H3,23,24)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247327 (US9447091, 5) Show SMILES Cn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(NS(=O)(=O)C2CC2)cc(c1)-c1ccc(F)cc1F Show InChI InChI=1S/C26H21F2N5O2S/c1-32-14-18(13-30-32)16-2-7-26-25(10-16)29-15-33(26)21-9-17(23-6-3-19(27)11-24(23)28)8-20(12-21)31-36(34,35)22-4-5-22/h2-3,6-15,22,31H,4-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50056589 ((S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethyn...) Show SMILES C[C@@H](CC(O)=O)N1CC(=O)N(c2ccc(cc2C1=O)C#Cc1ccc(cc1)C(N)=N)C(C)(C)C Show InChI InChI=1S/C26H28N4O4/c1-16(13-23(32)33)29-15-22(31)30(26(2,3)4)21-12-9-18(14-20(21)25(29)34)6-5-17-7-10-19(11-8-17)24(27)28/h7-12,14,16H,13,15H2,1-4H3,(H3,27,28)(H,32,33)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate; 1:3 mixture enriched in the slower eluting diastereoisomer				J Med Chem 40: 717-29 (1997) Article DOI: 10.1021/jm960652r BindingDB Entry DOI: 10.7270/Q2SQ8ZGW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50196392 (3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceuticals Research & Development Curated by ChEMBL					Assay Description Inhibition of CHK2				Bioorg Med Chem Lett 16: 5561-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247345 (US9447091, 133) Show SMILES CCS(=O)(=O)Nc1cc(cc(c1)-n1cnc2cc(cnc12)-c1cnn(C)c1)-c1ccc(F)cc1F Show InChI InChI=1S/C24H20F2N6O2S/c1-3-35(33,34)30-19-6-15(21-5-4-18(25)9-22(21)26)7-20(10-19)32-14-28-23-8-16(11-27-24(23)32)17-12-29-31(2)13-17/h4-14,30H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247358 (US9447091, 244) Show SMILES Cn1cc(cn1)-c1cnc2n(cnc2c1)-c1cc(NS(=O)(=O)NC2CC2)cc(c1)-c1ccc(F)cc1F Show InChI InChI=1S/C25H21F2N7O2S/c1-33-13-17(12-30-33)16-8-24-25(28-11-16)34(14-29-24)21-7-15(22-5-2-18(26)9-23(22)27)6-20(10-21)32-37(35,36)31-19-3-4-19/h2,5-14,19,31-32H,3-4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247353 (US9447091, 178) Show SMILES CC(=O)Nc1cc(cc(c1)-n1cnc2cc(cnc12)-c1ccc(F)nc1)-c1ccc(F)cc1F Show InChI InChI=1S/C25H16F3N5O/c1-14(34)32-19-6-16(21-4-3-18(26)9-22(21)27)7-20(10-19)33-13-31-23-8-17(12-30-25(23)33)15-2-5-24(28)29-11-15/h2-13H,1H3,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.9	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM247331 (US9447091, 30) Show SMILES CCS(=O)(=O)Nc1cc(cc(c1)-n1cnc2cc(ccc12)-n1cccn1)-c1ccc(F)cc1F Show InChI InChI=1S/C24H19F2N5O2S/c1-2-34(32,33)29-18-10-16(21-6-4-17(25)12-22(21)26)11-20(13-18)30-15-27-23-14-19(5-7-24(23)30)31-9-3-8-28-31/h3-15,29H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated wi...				US Patent US9447091 (2016) BindingDB Entry DOI: 10.7270/Q2TM792J
					More data for this Ligand-Target Pair

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