Compile Data Set for Download or QSAR

Found 1248 hits with Last Name = 'meghani' and Initial = 'p'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354293 (1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...) Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12 Show InChI InChI=1S/C38H38N9O3P/c1-23-19-25(20-24-22-40-45-35(23)24)41-36-39-18-17-34(44-36)50-31-16-15-30(28-9-7-8-10-29(28)31)42-37(48)43-33-21-32(38(2,3)4)46-47(33)26-11-13-27(14-12-26)51(5,6)49/h7-22H,1-6H3,(H,40,45)(H,39,41,44)(H2,42,43,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371784 (CHEMBL446458) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12 Show InChI InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354311 (1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1 Show InChI InChI=1S/C43H49N8O6P/c1-29(2)38-27-40(51(49-38)32-10-8-9-30(23-32)28-58(4,5)53)47-43(52)46-37-13-14-39(36-12-7-6-11-35(36)37)57-41-15-16-44-42(48-41)45-31-24-33(54-3)26-34(25-31)56-22-19-50-17-20-55-21-18-50/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,44,45,48)(H2,46,47,52)	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	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354332 (1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...) Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C45H54N7O8P/c1-45(2,3)40-29-41(52(51-40)33-12-10-11-31(25-33)30-61(6,7)54)49-44(53)48-38-15-16-39(37-14-9-8-13-36(37)38)60-42-17-18-46-43(50-42)47-32-26-34(56-5)28-35(27-32)59-24-23-58-22-21-57-20-19-55-4/h8-18,25-29H,19-24,30H2,1-7H3,(H,46,47,50)(H2,48,49,53)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354293 (1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...) Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12 Show InChI InChI=1S/C38H38N9O3P/c1-23-19-25(20-24-22-40-45-35(23)24)41-36-39-18-17-34(44-36)50-31-16-15-30(28-9-7-8-10-29(28)31)42-37(48)43-33-21-32(38(2,3)4)46-47(33)26-11-13-27(14-12-26)51(5,6)49/h7-22H,1-6H3,(H,40,45)(H,39,41,44)(H2,42,43,48)	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	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354310 (3-((4-((4-(3-(1-(3-((Dimethylphosphoryl)methyl)phe...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C44H50N9O6P/c1-29(2)38-27-40(53(51-38)33-10-8-9-30(23-33)28-60(4,5)56)49-44(55)48-37-13-14-39(36-12-7-6-11-35(36)37)59-41-15-16-46-43(50-41)47-32-24-31(25-34(26-32)57-3)42(54)45-17-18-52-19-21-58-22-20-52/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,45,54)(H,46,47,50)(H2,48,49,55)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM327851 (US9663479, Formula 2 peak 2 (chiral)) Show SMILES CCC1=CC2C(C[C@]2(CN)Cc2nn[nH]n2)C1 |r,t:2| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Novassay S.A. US Patent					Assay Description This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...				US Patent US9663479 (2017) BindingDB Entry DOI: 10.7270/Q2FT8P41
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065327 (CHEMBL3403851) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(Cl)c2F)n1 |r| Show InChI InChI=1S/C17H21ClFN5O3S2/c1-11(9-25)20-14-8-15(23-29(26,27)24-6-3-7-24)22-17(21-14)28-10-12-4-2-5-13(18)16(12)19/h2,4-5,8,11,25H,3,6-7,9-10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354311 (1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1 Show InChI InChI=1S/C43H49N8O6P/c1-29(2)38-27-40(51(49-38)32-10-8-9-30(23-32)28-58(4,5)53)47-43(52)46-37-13-14-39(36-12-7-6-11-35(36)37)57-41-15-16-44-42(48-41)45-31-24-33(54-3)26-34(25-31)56-22-19-50-17-20-55-21-18-50/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,44,45,48)(H2,46,47,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354324 (1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...) Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C46H56N7O9P/c1-32(2)41-30-43(53(52-41)35-11-9-10-33(26-35)31-63(5,6)55)50-46(54)49-40-14-15-42(39-13-8-7-12-38(39)40)62-44-16-17-47-45(51-44)48-34-27-36(57-4)29-37(28-34)61-25-24-60-23-22-59-21-20-58-19-18-56-3/h7-17,26-30,32H,18-25,31H2,1-6H3,(H,47,48,51)(H2,49,50,54)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354310 (3-((4-((4-(3-(1-(3-((Dimethylphosphoryl)methyl)phe...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C44H50N9O6P/c1-29(2)38-27-40(53(51-38)33-10-8-9-30(23-33)28-60(4,5)56)49-44(55)48-37-13-14-39(36-12-7-6-11-35(36)37)59-41-15-16-46-43(50-41)47-32-24-31(25-34(26-32)57-3)42(54)45-17-18-52-19-21-58-22-20-52/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,45,54)(H,46,47,50)(H2,48,49,55)	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	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334348 (1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...) Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM359614 (N-[(1-Aminoisoquinolin-6-yl)methyl]-({4-[(4-methyl...) Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C28H26N6O/c1-19-13-33-34(17-19)18-21-4-2-20(3-5-21)10-23-12-25(16-30-14-23)28(35)32-15-22-6-7-26-24(11-22)8-9-31-27(26)29/h2-9,11-14,16-17H,10,15,18H2,1H3,(H2,29,31)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US10221161 (2019) BindingDB Entry DOI: 10.7270/Q23B62DG
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM359614 (N-[(1-Aminoisoquinolin-6-yl)methyl]-({4-[(4-methyl...) Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C28H26N6O/c1-19-13-33-34(17-19)18-21-4-2-20(3-5-21)10-23-12-25(16-30-14-23)28(35)32-15-22-6-7-26-24(11-22)8-9-31-27(26)29/h2-9,11-14,16-17H,10,15,18H2,1H3,(H2,29,31)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89VT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354324 (1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...) Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C46H56N7O9P/c1-32(2)41-30-43(53(52-41)35-11-9-10-33(26-35)31-63(5,6)55)50-46(54)49-40-14-15-42(39-13-8-7-12-38(39)40)62-44-16-17-47-45(51-44)48-34-27-36(57-4)29-37(28-34)61-25-24-60-23-22-59-21-20-58-19-18-56-3/h7-17,26-30,32H,18-25,31H2,1-6H3,(H,47,48,51)(H2,49,50,54)	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	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334378 (1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1 Show InChI InChI=1S/C42H47N7O7/c1-28-10-12-30(13-11-28)49-38(27-37(48-49)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-22-54-21-20-53-19-18-50/h6-17,24-27,50H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,51)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334346 (1-(4-((2-((3-(2,5,8,11,14-Pentaoxahexadecan-16-ylo...) Show SMILES COCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C46H55N7O9/c1-32(2)41-31-43(53(52-41)35-12-10-33(3)11-13-35)50-46(54)49-40-14-15-42(39-9-7-6-8-38(39)40)62-44-16-17-47-45(51-44)48-34-28-36(56-5)30-37(29-34)61-27-26-60-25-24-59-23-22-58-21-20-57-19-18-55-4/h6-17,28-32H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,54)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371783 (CHEMBL397237) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065326 (CHEMBL3403850) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1 |r| Show InChI InChI=1S/C17H21F2N5O3S2/c1-11(9-25)20-14-8-15(23-29(26,27)24-6-3-7-24)22-17(21-14)28-10-12-4-2-5-13(18)16(12)19/h2,4-5,8,11,25H,3,6-7,9-10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065330 (CHEMBL3403854) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(F)c2F)n1 |r| Show InChI InChI=1S/C18H23F2N5O4S2/c1-12(10-26)21-15-9-16(24-31(27,28)25-5-7-29-8-6-25)23-18(22-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,26H,5-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM327848 (US9663479, Formula 2 (Racemic)) Show SMILES CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nn[nH]n2)C1 |r,t:2| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Novassay S.A. US Patent					Assay Description This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...				US Patent US9663479 (2017) BindingDB Entry DOI: 10.7270/Q2FT8P41
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354304 (1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...) Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12 Show InChI InChI=1S/C39H40N9O3P/c1-24-18-27(20-26-22-41-46-36(24)26)42-37-40-17-16-35(45-37)51-32-15-14-31(29-12-7-8-13-30(29)32)43-38(49)44-34-21-33(39(2,3)4)47-48(34)28-11-9-10-25(19-28)23-52(5,6)50/h7-22H,23H2,1-6H3,(H,41,46)(H,40,42,45)(H2,43,44,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354304 (1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...) Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12 Show InChI InChI=1S/C39H40N9O3P/c1-24-18-27(20-26-22-41-46-36(24)26)42-37-40-17-16-35(45-37)51-32-15-14-31(29-12-7-8-13-30(29)32)43-38(49)44-34-21-33(39(2,3)4)47-48(34)28-11-9-10-25(19-28)23-52(5,6)50/h7-22H,23H2,1-6H3,(H,41,46)(H,40,42,45)(H2,43,44,49)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354309 (1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...) Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1 Show InChI InChI=1S/C38H38N9O3P/c1-23(2)32-20-34(47(46-32)28-10-8-9-25(18-28)22-51(4,5)49)43-38(48)42-31-13-14-33(30-12-7-6-11-29(30)31)50-35-15-16-39-37(44-35)41-27-17-24(3)36-26(19-27)21-40-45-36/h6-21,23H,22H2,1-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065331 (CHEMBL3403855) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(Cl)c2F)n1 |r| Show InChI InChI=1S/C18H23ClFN5O4S2/c1-12(10-26)21-15-9-16(24-31(27,28)25-5-7-29-8-6-25)23-18(22-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,26H,5-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334335 (1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...) Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OCCOCCOCCO)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C40H43N7O6/c1-27(2)35-26-37(47(46-35)30-13-11-28(3)12-14-30)44-40(49)43-34-15-16-36(33-10-5-4-9-32(33)34)53-38-17-18-41-39(45-38)42-29-7-6-8-31(25-29)52-24-23-51-22-21-50-20-19-48/h4-18,25-27,48H,19-24H2,1-3H3,(H,41,42,45)(H2,43,44,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065324 (CHEMBL3403848) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2cccc(Cl)c2F)n1 |r| Show InChI InChI=1S/C16H21ClFN5O3S2/c1-10(8-24)19-13-7-14(22-28(25,26)23(2)3)21-16(20-13)27-9-11-5-4-6-12(17)15(11)18/h4-7,10,24H,8-9H2,1-3H3,(H2,19,20,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM345133 (1-(3-(tert-Butyldimethylsilyl)-1-(p-tolyl)-1H-pyra...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C(C)(C)C Show InChI InChI=1S/C37H39N7O2Si/c1-25-16-18-27(19-17-25)44-32(24-34(43-44)47(5,6)37(2,3)4)41-36(45)40-30-20-21-31(29-15-11-10-14-28(29)30)46-33-22-23-38-35(42-33)39-26-12-8-7-9-13-26/h7-24H,1-6H3,(H,38,39,42)(H2,40,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...				US Patent US9783556 (2017) BindingDB Entry DOI: 10.7270/Q2833V5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM334378 (1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1 Show InChI InChI=1S/C42H47N7O7/c1-28-10-12-30(13-11-28)49-38(27-37(48-49)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-22-54-21-20-53-19-18-50/h6-17,24-27,50H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,51)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM256521 (US10435361, Example 20 | US9481648, 20 | US9790174...) Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C41H48N6O9/c1-41(2,3)26-21-32(38(42)48)37(52-6)34(22-26)46-40(49)45-33-11-12-35(31-10-8-7-9-30(31)33)56-36-13-14-43-39(47-36)44-27-23-28(51-5)25-29(24-27)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-25H,15-20H2,1-6H3,(H2,42,48)(H,43,44,47)(H2,45,46,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9481648 (2016) BindingDB Entry DOI: 10.7270/Q24F1PNH
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334345 (1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...) Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C44H51N7O8/c1-30(2)39-29-41(51(50-39)33-12-10-31(3)11-13-33)48-44(52)47-38-14-15-40(37-9-7-6-8-36(37)38)59-42-16-17-45-43(49-42)46-32-26-34(54-5)28-35(27-32)58-25-24-57-23-22-56-21-20-55-19-18-53-4/h6-17,26-30H,18-25H2,1-5H3,(H,45,46,49)(H2,47,48,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM345134 (1-(4-((2-((3-(2-Morpholinoethoxy)phenyl)amino)pyri...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)c3)n2)c2ccccc12)[Si](C)(C)C Show InChI InChI=1S/C40H44N8O4Si/c1-28-12-14-30(15-13-28)48-36(27-38(46-48)53(2,3)4)44-40(49)43-34-16-17-35(33-11-6-5-10-32(33)34)52-37-18-19-41-39(45-37)42-29-8-7-9-31(26-29)51-25-22-47-20-23-50-24-21-47/h5-19,26-27H,20-25H2,1-4H3,(H,41,42,45)(H2,43,44,49)	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
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9783556 (2017) BindingDB Entry DOI: 10.7270/Q2833V5V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334373 (1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1 Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)58-41-18-19-45-42(49-41)46-31-26-33(54-7)28-34(27-31)57-25-24-56-23-22-55-21-20-51(5)6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)	PDB MMDB 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
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM334348 (1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...) Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)	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
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354331 (3-((4-((4-(3-(3-(tert-Butyl)-1-(3-((dimethylphosph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC(F)(F)F)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1 Show InChI InChI=1S/C45H49F3N9O6P/c1-44(2,3)38-27-39(57(55-38)32-10-8-9-29(23-32)28-64(4,5)60)53-43(59)52-36-13-14-37(35-12-7-6-11-34(35)36)62-40-15-16-50-42(54-40)51-31-24-30(25-33(26-31)63-45(46,47)48)41(58)49-17-18-56-19-21-61-22-20-56/h6-16,23-27H,17-22,28H2,1-5H3,(H,49,58)(H,50,51,54)(H2,52,53,59)	PDB MMDB 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
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354330 (3-((4-((4-(3-(3-(tert-Butyl)-1-(3-((dimethylphosph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(F)(F)F)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1 Show InChI InChI=1S/C45H49F3N9O5P/c1-44(2,3)38-27-39(57(55-38)33-10-8-9-29(23-33)28-63(4,5)60)53-43(59)52-36-13-14-37(35-12-7-6-11-34(35)36)62-40-15-16-50-42(54-40)51-32-25-30(24-31(26-32)45(46,47)48)41(58)49-17-18-56-19-21-61-22-20-56/h6-16,23-27H,17-22,28H2,1-5H3,(H,49,58)(H,50,51,54)(H2,52,53,59)	PDB MMDB 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
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354329 (1-(4-((2-((3-cyano-5-(2-morpholinoethoxy)phenyl)am...) Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OCCN5CCOCC5)cc(c4)C#N)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1 Show InChI InChI=1S/C43H46N9O5P/c1-29(2)38-26-40(52(50-38)33-9-7-8-30(23-33)28-58(3,4)54)48-43(53)47-37-12-13-39(36-11-6-5-10-35(36)37)57-41-14-15-45-42(49-41)46-32-22-31(27-44)24-34(25-32)56-21-18-51-16-19-55-20-17-51/h5-15,22-26,29H,16-21,28H2,1-4H3,(H,45,46,49)(H2,47,48,53)	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
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM359712 (N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-5-(...) Show SMILES Cc1cnn(Cc2ccc(Cc3cncc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1 Show InChI InChI=1S/C28H31N5O/c1-19-13-32-33(17-19)18-23-6-4-22(5-7-23)10-25-11-26(15-30-14-25)28(34)31-16-27-20(2)8-24(12-29)9-21(27)3/h4-9,11,13-15,17H,10,12,16,18,29H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.47	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US10221161 (2019) BindingDB Entry DOI: 10.7270/Q23B62DG
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM535979 (N-{[4-(Aminomethyl)-2,6-dimethylphenyl]methyl}-5-(...) Show SMILES Cc1cnn(Cc2ccc(Cc3cccc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X89VT
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065328 (CHEMBL3403852) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCC2)nc(SCc2cccc(F)c2F)n1 |r| Show InChI InChI=1S/C18H23F2N5O3S2/c1-12(10-26)21-15-9-16(24-30(27,28)25-7-2-3-8-25)23-18(22-15)29-11-13-5-4-6-14(19)17(13)20/h4-6,9,12,26H,2-3,7-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065325 (CHEMBL3403849) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(Cl)c2F)n1 |r| Show InChI InChI=1S/C18H24ClFN6O3S2/c1-12(10-27)22-15-9-16(25-31(28,29)26-7-5-21-6-8-26)24-18(23-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,21,27H,5-8,10-11H2,1H3,(H2,22,23,24,25)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50065329 (CHEMBL3403853) Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCCC2)nc(SCc2cccc(F)c2F)n1 |r| Show InChI InChI=1S/C19H25F2N5O3S2/c1-13(11-27)22-16-10-17(25-31(28,29)26-8-3-2-4-9-26)24-19(23-16)30-12-14-6-5-7-15(20)18(14)21/h5-7,10,13,27H,2-4,8-9,11-12H2,1H3,(H2,22,23,24,25)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 1616-20 (2015) Article DOI: 10.1016/j.bmcl.2015.01.067 BindingDB Entry DOI: 10.7270/Q2F47QT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM354332 (1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...) Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1 Show InChI InChI=1S/C45H54N7O8P/c1-45(2,3)40-29-41(52(51-40)33-12-10-11-31(25-33)30-61(6,7)54)49-44(53)48-38-15-16-39(37-14-9-8-13-36(37)38)60-42-17-18-46-43(50-42)47-32-26-34(56-5)28-35(27-32)59-24-23-58-22-21-57-20-19-55-4/h8-18,25-29H,19-24,30H2,1-7H3,(H,46,47,50)(H2,48,49,53)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM354273 (1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(cc1)P(C)(C)=O Show InChI InChI=1S/C36H36N7O3P/c1-36(2,3)31-23-32(43(42-31)25-15-17-26(18-16-25)47(4,5)45)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)46-33-21-22-37-34(41-33)38-24-11-7-6-8-12-24/h6-23H,1-5H3,(H,37,38,41)(H2,39,40,44)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354308 (1-(3-(tert-Butyl)-1-(3-((diethylphosphoryl)methyl)...) Show SMILES CCP(=O)(CC)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C41H44N9O3P/c1-7-54(52,8-2)25-27-12-11-13-30(21-27)50-36(23-35(49-50)41(4,5)6)46-40(51)45-33-16-17-34(32-15-10-9-14-31(32)33)53-37-18-19-42-39(47-37)44-29-20-26(3)38-28(22-29)24-43-48-38/h9-24H,7-8,25H2,1-6H3,(H,43,48)(H,42,44,47)(H2,45,46,51)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM354323 (1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...) Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)ccn2)cc(OCCN2CCOCC2)c1 Show InChI InChI=1S/C44H50N7O6P/c1-30(2)40-28-43(51(49-40)33-10-8-9-31(23-33)29-58(4,5)53)48-44(52)47-39-13-14-41(38-12-7-6-11-37(38)39)57-34-15-16-45-42(27-34)46-32-24-35(54-3)26-36(25-32)56-22-19-50-17-20-55-21-18-50/h6-16,23-28,30H,17-22,29H2,1-5H3,(H,45,46)(H2,47,48,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9796742 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM256511 (US10435361, Example 9 | US9481648, 9 | US9790174, ...) Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)n3)c3ccccc23)c1OC)C(C)(C)C Show InChI InChI=1S/C43H46N8O6/c1-7-27-22-28(39(52)45-16-17-51-18-20-56-21-19-51)24-30(23-27)47-41-46-15-14-37(50-41)57-36-13-12-34(31-10-8-9-11-32(31)36)48-42(54)49-35-26-29(43(2,3)4)25-33(38(35)55-6)40(53)44-5/h1,8-15,22-26H,16-21H2,2-6H3,(H,44,53)(H,45,52)(H,46,47,50)(H2,48,49,54)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...				US Patent US9481648 (2016) BindingDB Entry DOI: 10.7270/Q24F1PNH
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM334336 (1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1 Show InChI InChI=1S/C41H45N7O7/c1-27(2)36-26-38(48(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)54-22-21-53-20-19-52-18-17-49/h5-16,23-27,49H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM334336 (1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1 Show InChI InChI=1S/C41H45N7O7/c1-27(2)36-26-38(48(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)54-22-21-53-20-19-52-18-17-49/h5-16,23-27,49H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM334373 (1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1 Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)58-41-18-19-45-42(49-41)46-31-26-33(54-7)28-34(27-31)57-25-24-56-23-22-55-21-20-51(5)6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED US Patent					Assay Description c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...				US Patent US9732063 (2017) BindingDB Entry DOI: 10.7270/Q2PV6NGV
					More data for this Ligand-Target Pair

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