Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'han' and Initial = 'nb'   

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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50227263 (CHEMBL2021376) Show SMILES Nc1nc2c(O)nc(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50022506 (5-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES NC(=N)c1nc(N)n(n1)C1OC(CO)C(O)[C@@H]1O Show InChI InChI=1S/C8H14N6O4/c9-5(10)6-12-8(11)14(13-6)7-4(17)3(16)2(1-15)18-7/h2-4,7,15-17H,1H2,(H3,9,10)(H2,11,12,13)/t2?,3?,4-,7?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50367673 (CHEMBL608050) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc(n1)C(N)=N |r| Show InChI InChI=1S/C8H13N5O3/c1-3-4(14)5(15)8(16-3)13-2-11-7(12-13)6(9)10/h2-5,8,14-15H,1H3,(H3,9,10)/t3-,4-,5-,8?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50022505 (1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES NC(=N)c1ncn(n1)C1OC(CO)C(O)[C@@H]1O Show InChI InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3?,4?,5-,8?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50367674 (CHEMBL611275) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(nc1N)C(N)=N |r| Show InChI InChI=1S/C8H14N6O3/c1-2-3(15)4(16)7(17-2)14-8(11)12-6(13-14)5(9)10/h2-4,7,15-16H,1H3,(H3,9,10)(H2,11,12,13)/t2-,3-,4-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50225889 (CHEMBL3144008) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NNC2C1=NC=NC2=O |r,c:17,t:10,15| Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,6-9,14-17H,1H2/t3-,6?,7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A [1-801] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182237 (CHEMBL207947 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C30H40F3N3O3S/c1-20-11-13-24(18-26(20)30(31,32)33)40(38,39)36-15-6-5-9-23(36)17-28(37)35-27-10-7-8-22-16-21(12-14-25(22)27)19-34-29(2,3)4/h11-14,16,18,23,27,34H,5-10,15,17,19H2,1-4H3,(H,35,37)/t23-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182245 (CHEMBL437509 | N-((R)-6-((isobutylamino)methyl)-1,...) Show SMILES CC(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H38F3N3O3S/c1-20(2)18-33-19-21-12-13-26-22(15-21)7-5-11-27(26)34-28(36)17-24-9-3-4-14-35(24)39(37,38)25-10-6-8-23(16-25)29(30,31)32/h6,8,10,12-13,15-16,20,24,27,33H,3-5,7,9,11,14,17-19H2,1-2H3,(H,34,36)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182221 (CHEMBL381366 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C [1-765] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182230 (2-((S)-1-(benzo[b]thiophen-3-ylsulfonyl)piperidin-...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C30H39N3O3S2/c1-30(2,3)31-19-21-14-15-24-22(17-21)9-8-12-26(24)32-29(34)18-23-10-6-7-16-33(23)38(35,36)28-20-37-27-13-5-4-11-25(27)28/h4-5,11,13-15,17,20,23,26,31H,6-10,12,16,18-19H2,1-3H3,(H,32,34)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182231 (CHEMBL381979 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H40ClN3O3S/c1-20-11-13-24(18-26(20)30)37(35,36)33-15-6-5-9-23(33)17-28(34)32-27-10-7-8-22-16-21(12-14-25(22)27)19-31-29(2,3)4/h11-14,16,18,23,27,31H,5-10,15,17,19H2,1-4H3,(H,32,34)/t23-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182237 (CHEMBL207947 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C30H40F3N3O3S/c1-20-11-13-24(18-26(20)30(31,32)33)40(38,39)36-15-6-5-9-23(36)17-28(37)35-27-10-7-8-22-16-21(12-14-25(22)27)19-34-29(2,3)4/h11-14,16,18,23,27,34H,5-10,15,17,19H2,1-4H3,(H,35,37)/t23-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182222 (CHEMBL380117 | N-((R)-6-((cyclopropylmethylamino)m...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC3CC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)23-6-4-8-25(16-23)39(37,38)35-14-2-1-7-24(35)17-28(36)34-27-9-3-5-22-15-21(12-13-26(22)27)19-33-18-20-10-11-20/h4,6,8,12-13,15-16,20,24,27,33H,1-3,5,7,9-11,14,17-19H2,(H,34,36)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182220 (CHEMBL381372 | N-((R)-6-((2-methoxyethylamino)meth...) Show SMILES COCCNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182231 (CHEMBL381979 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H40ClN3O3S/c1-20-11-13-24(18-26(20)30)37(35,36)33-15-6-5-9-23(33)17-28(34)32-27-10-7-8-22-16-21(12-14-25(22)27)19-31-29(2,3)4/h11-14,16,18,23,27,31H,5-10,15,17,19H2,1-4H3,(H,32,34)/t23-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182221 (CHEMBL381366 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A [1-801] (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182222 (CHEMBL380117 | N-((R)-6-((cyclopropylmethylamino)m...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC3CC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)23-6-4-8-25(16-23)39(37,38)35-14-2-1-7-24(35)17-28(36)34-27-9-3-5-22-15-21(12-13-26(22)27)19-33-18-20-10-11-20/h4,6,8,12-13,15-16,20,24,27,33H,1-3,5,7,9-11,14,17-19H2,(H,34,36)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182245 (CHEMBL437509 | N-((R)-6-((isobutylamino)methyl)-1,...) Show SMILES CC(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H38F3N3O3S/c1-20(2)18-33-19-21-12-13-26-22(15-21)7-5-11-27(26)34-28(36)17-24-9-3-4-14-35(24)39(37,38)25-10-6-8-23(16-25)29(30,31)32/h6,8,10,12-13,15-16,20,24,27,33H,3-5,7,9,11,14,17-19H2,1-2H3,(H,34,36)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182220 (CHEMBL381372 | N-((R)-6-((2-methoxyethylamino)meth...) Show SMILES COCCNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182232 (CHEMBL205981 | N-((R)-6-((cyclopropylamino)methyl)...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 Show InChI InChI=1S/C28H34F3N3O3S/c29-28(30,31)21-6-4-8-24(16-21)38(36,37)34-14-2-1-7-23(34)17-27(35)33-26-9-3-5-20-15-19(10-13-25(20)26)18-32-22-11-12-22/h4,6,8,10,13,15-16,22-23,26,32H,1-3,5,7,9,11-12,14,17-18H2,(H,33,35)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182232 (CHEMBL205981 | N-((R)-6-((cyclopropylamino)methyl)...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 Show InChI InChI=1S/C28H34F3N3O3S/c29-28(30,31)21-6-4-8-24(16-21)38(36,37)34-14-2-1-7-23(34)17-27(35)33-26-9-3-5-20-15-19(10-13-25(20)26)18-32-22-11-12-22/h4,6,8,10,13,15-16,22-23,26,32H,1-3,5,7,9,11-12,14,17-18H2,(H,33,35)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182234 (CHEMBL439505 | N-((R)-6-((cyclobutylamino)methyl)-...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)22-7-4-11-25(17-22)39(37,38)35-15-2-1-10-24(35)18-28(36)34-27-12-3-6-21-16-20(13-14-26(21)27)19-33-23-8-5-9-23/h4,7,11,13-14,16-17,23-24,27,33H,1-3,5-6,8-10,12,15,18-19H2,(H,34,36)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182234 (CHEMBL439505 | N-((R)-6-((cyclobutylamino)methyl)-...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)22-7-4-11-25(17-22)39(37,38)35-15-2-1-10-24(35)18-28(36)34-27-12-3-6-21-16-20(13-14-26(21)27)19-33-23-8-5-9-23/h4,7,11,13-14,16-17,23-24,27,33H,1-3,5-6,8-10,12,15,18-19H2,(H,34,36)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182229 (CHEMBL203174 | N-((R)-6-((neopentylamino)methyl)-1...) Show SMILES CC(C)(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C30H40F3N3O3S/c1-29(2,3)20-34-19-21-13-14-26-22(16-21)8-6-12-27(26)35-28(37)18-24-10-4-5-15-36(24)40(38,39)25-11-7-9-23(17-25)30(31,32)33/h7,9,11,13-14,16-17,24,27,34H,4-6,8,10,12,15,18-20H2,1-3H3,(H,35,37)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182236 (CHEMBL205501 | N-((R)-6-((dimethylamino)methyl)-1,...) Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O3S/c1-32(2)18-19-12-13-24-20(15-19)7-5-11-25(24)31-26(34)17-22-9-3-4-14-33(22)37(35,36)23-10-6-8-21(16-23)27(28,29)30/h6,8,10,12-13,15-16,22,25H,3-5,7,9,11,14,17-18H2,1-2H3,(H,31,34)/t22-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C [1-765] (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182230 (2-((S)-1-(benzo[b]thiophen-3-ylsulfonyl)piperidin-...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C30H39N3O3S2/c1-30(2,3)31-19-21-14-15-24-22(17-21)9-8-12-26(24)32-29(34)18-23-10-6-7-16-33(23)38(35,36)28-20-37-27-13-5-4-11-25(27)28/h4-5,11,13-15,17,20,23,26,31H,6-10,12,16,18-19H2,1-3H3,(H,32,34)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182228 (CHEMBL206247 | N-((R)-6-((isopropylamino)methyl)-1...) Show SMILES CC(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O3S/c1-19(2)32-18-20-12-13-25-21(15-20)7-5-11-26(25)33-27(35)17-23-9-3-4-14-34(23)38(36,37)24-10-6-8-22(16-24)28(29,30)31/h6,8,10,12-13,15-16,19,23,26,32H,3-5,7,9,11,14,17-18H2,1-2H3,(H,33,35)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50182241 (CHEMBL381964 | N-((R)-6-((tert-butylamino)methyl)-...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C28H38ClN3O3S/c1-28(2,3)30-19-20-13-14-25-21(16-20)8-6-12-26(25)31-27(33)18-23-10-4-5-15-32(23)36(34,35)24-11-7-9-22(29)17-24/h7,9,11,13-14,16-17,23,26,30H,4-6,8,10,12,15,18-19H2,1-3H3,(H,31,33)/t23-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair

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