Compile Data Set for Download or QSAR

Found 565 hits with Last Name = 'castro-palomino laria' 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128311 (US8796284, 93) Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128297 (US8796284, 4) Show SMILES Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	-46.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128307 (US8796284, 38) Show SMILES CC(C)Sc1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C10H12BrN5S/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128310 (US8796284, 48) Show SMILES Nc1nc(nc(c1C#N)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128306 (US8796284, 36) Show SMILES CCSc1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H10BrN5S/c1-2-16-8-6(10)7(11)13-9(14-8)15-5-3-4-12-15/h3-5H,2H2,1H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-46.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128305 (US8796284, 29) Show SMILES Nc1nc(nc(NCC2CC2)c1Br)-n1cccn1 Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-5-1-4-15-18)17-10(8)14-6-7-2-3-7/h1,4-5,7H,2-3,6H2,(H3,13,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	-45.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128296 (US8796284, 3) Show SMILES Nc1nc(nc(N2CCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375232 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128295 (US8796284, 1) Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	12	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128311 (US8796284, 93) Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	12	-47.0	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375233 (3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-4-yl)p...) Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1ccncc1 Show InChI InChI=1S/C15H10BrFN4/c16-11-8-13(18)21-15(9-1-4-19-5-2-9)14(11)10-3-6-20-12(17)7-10/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128303 (US8796284, 20) Show SMILES COC[C@H]1CCCN1c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128308 (US8796284, 44) Show SMILES Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1 Show InChI InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128298 (US8796284, 5) Show SMILES Nc1nc(nc(N2CCCCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128304 (US8796284, 24) Show SMILES CNc1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C8H9BrN6/c1-11-7-5(9)6(10)13-8(14-7)15-4-2-3-12-15/h2-4H,1H3,(H3,10,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-44.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128309 (US8796284, 46) Show SMILES Nc1nc(nc(c1Cl)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	-44.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128299 (US8796284, 8) Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1 Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18	-44.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128301 (US8796284, 10) Show SMILES Nc1nc(nc(NC2CCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	21	-43.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375229 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)...) Show SMILES Nc1cc(Cl)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10ClFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375234 (3-chloro-5-(3-fluoropyridin-4-yl)-6-(6-methoxypyri...) Show SMILES COc1ccc(cn1)-c1nc(N)cc(Cl)c1-c1ccnc(F)c1 Show InChI InChI=1S/C16H12ClFN4O/c1-23-14-3-2-10(8-21-14)16-15(11(17)7-13(19)22-16)9-4-5-20-12(18)6-9/h2-8H,1H3,(H2,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128295 (US8796284, 1) Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	25	-45.1	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128300 (US8796284, 9) Show SMILES Nc1nc(nc(N2CCC2)c1Br)-n1cccn1 Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33	-42.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375227 (3-chloro-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-...) Show SMILES Nc1cc(Cl)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11ClN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128302 (US8796284, 13) Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Palobiofarma, S.L. US Patent					Assay Description Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375230 (3-bromo-5-(3-fluoropyridin-4-yl)-6-(pyridin-3-yl)p...) Show SMILES Nc1cc(Br)c(-c2ccnc(F)c2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10BrFN4/c16-11-7-13(18)21-15(10-2-1-4-19-8-10)14(11)9-3-5-20-12(17)6-9/h1-8H,(H2,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM375228 (3-bromo-6-(pyridin-3-yl)-5-(pyridin-4-yl)pyridin-2...) Show SMILES Nc1cc(Br)c(-c2ccncc2)c(n1)-c1cccnc1 Show InChI InChI=1S/C15H11BrN4/c16-12-8-13(17)20-15(11-2-1-5-19-9-11)14(12)10-3-6-18-7-4-10/h1-9H,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, accord...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q2ZP48FV
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM339426 (US10202330, Example 18) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r| Show InChI InChI=1S/C23H28ClN/c24-21-12-10-19(11-13-21)18-6-8-20(9-7-18)22-16-23(22)25-15-14-17-4-2-1-3-5-17/h6-13,17,22-23,25H,1-5,14-16H2/t22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORYZON GENOMICS, SA US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US10202330 (2019) BindingDB Entry DOI: 10.7270/Q29C70KG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128302 (US8796284, 13) Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50	-43.3	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179729 (US9676701, 48 3-(5-((trans)-2-amninocyclopropyl)py...) Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)10-3-9(4-11(21)5-10)14-2-1-8(7-20-14)12-6-13(12)19/h1-5,7,12-13,21H,6,19H2/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179740 (US9676701, 53 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C15H17N3O2S/c1-21(19,20)18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14,18H,8,16H2,1H3/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179745 (US9676701, 56 5-(5-((trans)-2-aminocyclopropyl)pyr...) Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N |r| Show InChI InChI=1S/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179823 (US9676701, 59 5-(5-((trans)-2-aminocyclopropyl)pyr...) Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1 |r| Show InChI InChI=1S/C14H12F2N2O/c15-10-3-8(4-13(19)14(10)16)12-2-1-7(6-18-12)9-5-11(9)17/h1-4,6,9,11,19H,5,17H2/t9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445349 (CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...) Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445349 (CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...) Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179828 (US9676701, 64 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C20H19N3O2S/c21-19-12-18(19)15-9-10-20(22-13-15)14-5-4-6-16(11-14)23-26(24,25)17-7-2-1-3-8-17/h1-11,13,18-19,23H,12,21H2/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179829 (US9676701, 65 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C17H21N3O2S/c1-11(2)23(21,22)20-14-5-3-4-12(8-14)17-7-6-13(10-19-17)15-9-16(15)18/h3-8,10-11,15-16,20H,9,18H2,1-2H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179830 (US9676701, 66 4′-((trans)-2-aminocyclopropyl...) Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)c(O)c1 |r| Show InChI InChI=1S/C15H14FNO/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17/h1-7,12,14,18H,8,17H2/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179832 (US9676701, 67 4′-((trans)-2-aminocyclopropyl...) Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(O)cc(Cl)c1 |r| Show InChI InChI=1S/C15H14ClNO/c16-12-5-11(6-13(18)7-12)9-1-3-10(4-2-9)14-8-15(14)17/h1-7,14-15,18H,8,17H2/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179833 (US9676701, 68 N-(4′-((trans)-2-aminocyclopro...) Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C21H20N2O2S/c22-21-14-20(21)16-11-9-15(10-12-16)17-5-4-6-18(13-17)23-26(24,25)19-7-2-1-3-8-19/h1-13,20-21,23H,14,22H2/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158875 (CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...) Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179835 (US9676701, 70 N-(4′-((trans)-2-aminocyclopro...) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C16H18N2O2S/c1-21(19,20)18-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15-10-16(15)17/h2-9,15-16,18H,10,17H2,1H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179840 (US9676701, 75 N-(4′-((trans)-2-aminocyclopro...) Show SMILES COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C17H20N2O3S/c1-22-17-8-7-13(19-23(2,20)21)9-15(17)12-5-3-11(4-6-12)14-10-16(14)18/h3-9,14,16,19H,10,18H2,1-2H3/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179854 (US9676701, 88 N-(4′-((trans)-2-aminocyclopro...) Show SMILES CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C16H18N2O3S/c1-22(20,21)18-12-6-7-16(19)14(8-12)11-4-2-10(3-5-11)13-9-15(13)17/h2-8,13,15,18-19H,9,17H2,1H3/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179855 (US9676701, 89 3-(5-((trans)-2-aminocyclopropyl)pyr...) Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N |r| Show InChI InChI=1S/C15H13N3O/c16-7-9-1-4-15(19)12(5-9)14-3-2-10(8-18-14)11-6-13(11)17/h1-5,8,11,13,19H,6,17H2/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179856 (US9676701, 90 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C15H17N3O3S/c1-22(20,21)18-10-3-5-15(19)12(6-10)14-4-2-9(8-17-14)11-7-13(11)16/h2-6,8,11,13,18-19H,7,16H2,1H3/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179860 (US9676701, 94 N-(4′-((trans)-2-aminocyclopro...) Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C16H17ClN2O2S/c1-22(20,21)19-14-7-12(6-13(17)8-14)10-2-4-11(5-3-10)15-9-16(15)18/h2-8,15-16,19H,9,18H2,1H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179861 (US9676701, 95 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C15H16ClN3O2S/c1-22(20,21)19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17/h2-6,8,13-14,19H,7,17H2,1H3/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179862 (US9676701, 96 N-(4′-((trans)-2-aminocyclopro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C16H17FN2O2S/c1-22(20,21)19-16-8-12(6-7-14(16)17)10-2-4-11(5-3-10)13-9-15(13)18/h2-8,13,15,19H,9,18H2,1H3/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179864 (US9676701, 98 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C16H19N3O2S/c1-2-22(20,21)19-13-5-3-4-11(8-13)16-7-6-12(10-18-16)14-9-15(14)17/h3-8,10,14-15,19H,2,9,17H2,1H3/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM179865 (US9676701, 99 N-(3-(5-((trans)-2-aminocyclopropyl)...) Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r| Show InChI InChI=1S/C21H18N4O2S/c22-12-14-4-7-18(8-5-14)28(26,27)25-17-3-1-2-15(10-17)21-9-6-16(13-24-21)19-11-20(19)23/h1-10,13,19-20,25H,11,23H2/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair

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