Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'bodenreider' and Initial = 'c'   

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
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603975 (CHEMBL5201780) Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)-c1ccc(F)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603974 (CHEMBL5201904) Show SMILES COc1ccc(cn1)-c1cnc2sc(N[C@@H]3CC[C@H](N)CC3)nn12 |r,wU:15.15,18.19,(-7.26,4.65,;-5.72,4.65,;-4.95,3.32,;-5.72,1.98,;-4.96,.65,;-3.42,.65,;-2.64,1.99,;-3.42,3.32,;-2.65,-.68,;-3.1,-2.13,;-1.86,-3.05,;-.65,-2.17,;.9,-2.18,;1.42,-.69,;2.91,-.3,;4,-1.38,;3.6,-2.87,;4.69,-3.96,;6.17,-3.56,;7.26,-4.65,;6.57,-2.07,;5.48,-.99,;.2,.22,;-1.11,-.68,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603992 (CHEMBL5179988) Show SMILES CC(C)(N)CNc1nn2c(cnc2s1)-c1ccc(F)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603978 (CHEMBL5187817) Show SMILES COc1ccc(-c2cnc3sc(nn23)N2CCC(C)(N)CC2)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603989 (CHEMBL5192443) Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)C1=CCCCC1 |t:19| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603986 (CHEMBL5187610) Show SMILES COc1cccc(n1)-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603988 (CHEMBL5170360) Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)C#CCO Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603984 (CHEMBL5195201) Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)-c1cccc2cc[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603985 (CHEMBL5207627) Show SMILES COc1nc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603979 (CHEMBL5204715) Show SMILES COc1cccc(-c2cnc3sc(nn23)N2CCC(C)(N)CC2)c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660,T1585M] (Dengue virus 3 (strain S221/03))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	7.70E+3	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603976 (CHEMBL5200247) Show SMILES Cc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660] (Dengue virus 4 (H241))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603983 (CHEMBL5181699) Show SMILES CC1(N)CCN(CC1)c1nn2c(cnc2s1)-c1cccc2CCOc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660] (Dengue virus 4 (H241))	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660,T1585M] (Dengue virus 3 (strain S221/03))	BDBM33251 (phthalazine-based compound, 2) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603977 (CHEMBL5189523) Show SMILES COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660] (Dengue virus 4 (H241))	BDBM33251 (phthalazine-based compound, 2) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1393-1439,E1407V]/[1476-1660,R1508K,A1566M] (Dengue virus 1(Hawaii))	BDBM33251 (phthalazine-based compound, 2) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33251 (phthalazine-based compound, 2) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50603977 (CHEMBL5189523) Show SMILES COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1393-1439,E1407V]/[1476-1660,R1508K,A1566M] (Dengue virus 1(Hawaii))	BDBM33256 (phthalazine-based compound, 7) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28| Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1517-1688]/Mastoparan-2 [1420-1466] (West Nile virus (WNV))	BDBM33247 (benzenecarboximidamide, 1) Show SMILES NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	8.5	37
University of Zurich					Assay Description Inhibitors were assayed in a 96-well plate format using enzyme conjugate WNV CF40-gly-NS3pro187, which was preincubated with various concentrations o...				J Med Chem 52: 4860-8 (2009) Article DOI: 10.1021/jm900448m BindingDB Entry DOI: 10.7270/Q20C4T4N
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM597562 (US11597733, Example 4-0) Show SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33251 (phthalazine-based compound, 2) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603987 (CHEMBL5189235) Show SMILES CC(C)(C)C#Cc1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM597562 (US11597733, Example 4-0) Show SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603980 (CHEMBL5173325) Show SMILES CCOc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33253 (phthalazine-based compound, 4) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CCNCc4c3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C26H25N7/c1-2-4-23-22(3-1)25(30-20-8-6-18(7-9-20)24-28-13-14-29-24)32-33-26(23)31-21-10-5-17-11-12-27-16-19(17)15-21/h1-10,15,27H,11-14,16H2,(H,28,29)(H,30,32)(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	4.60E+3	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603981 (CHEMBL5196893) Show SMILES CC(C)Oc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM597562 (US11597733, Example 4-0) Show SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM597562 (US11597733, Example 4-0) Show SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33254 (phthalazine-based compound, 5) Show SMILES NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:19| Show InChI InChI=1S/C24H23N7/c25-15-16-5-9-18(10-6-16)28-23-20-3-1-2-4-21(20)24(31-30-23)29-19-11-7-17(8-12-19)22-26-13-14-27-22/h1-12H,13-15,25H2,(H,26,27)(H,28,30)(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	1.86E+4	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM597562 (US11597733, Example 4-0) Show SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33250 (phthalazine-based compound, 1) Show SMILES CC1CNC(=N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC(C)CN3)c3ccccc23)cc1 |c:4,t:24| Show InChI InChI=1S/C28H28N8/c1-17-15-29-25(31-17)19-7-11-21(12-8-19)33-27-23-5-3-4-6-24(23)28(36-35-27)34-22-13-9-20(10-14-22)26-30-16-18(2)32-26/h3-14,17-18H,15-16H2,1-2H3,(H,29,31)(H,30,32)(H,33,35)(H,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	7.20E+3	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685] (West Nile virus (WNV))	BDBM33255 (phthalazine-based compound, 6) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CNCCc4c3)c3ccccc23)cc1 |c:2| Show InChI InChI=1S/C26H25N7/c1-2-4-23-22(3-1)25(30-20-8-5-17(6-9-20)24-28-13-14-29-24)32-33-26(23)31-21-10-7-19-16-27-12-11-18(19)15-21/h1-10,15,27H,11-14,16H2,(H,28,29)(H,30,32)(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	7.00E+3	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660,T1585M] (Dengue virus 3 (strain S221/03))	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603982 (CHEMBL5191906) Show SMILES COCCOc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660] (Dengue virus 4 (H241))	BDBM33254 (phthalazine-based compound, 5) Show SMILES NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:19| Show InChI InChI=1S/C24H23N7/c25-15-16-5-9-18(10-6-16)28-23-20-3-1-2-4-21(20)24(31-30-23)29-19-11-7-17(8-12-19)22-26-13-14-27-22/h1-12H,13-15,25H2,(H,26,27)(H,28,30)(H,29,31)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM597562 (US11597733, Example 4-0) Show SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660,T1585M] (Dengue virus 3 (strain S221/03))	BDBM33252 (phthalazine-based compound, 3) Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28| Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Genome polyprotein [1394-1440]/[1476-1660,T1585M] (Dengue virus 3 (strain S221/03))	BDBM33254 (phthalazine-based compound, 5) Show SMILES NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:19| Show InChI InChI=1S/C24H23N7/c25-15-16-5-9-18(10-6-16)28-23-20-3-1-2-4-21(20)24(31-30-23)29-19-11-7-17(8-12-19)22-26-13-14-27-22/h1-12H,13-15,25H2,(H,26,27)(H,28,30)(H,29,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50603998 (CHEMBL5190339) Show SMILES COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@H](N)[C@@H](F)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50603998 (CHEMBL5190339) Show SMILES COc1cc(F)ccc1-c1cnc2sc(nn12)N1CC[C@@H](N)[C@@H](F)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50603990 (CHEMBL5176864) Show SMILES COc1cc(F)ccc1-c1c(C)nc2sc(nn12)N1CCC(C)(N)CC1 |(-7.21,-1.43,;-5.67,-1.43,;-4.9,-.09,;-5.66,1.24,;-4.89,2.57,;-5.66,3.91,;-3.36,2.58,;-2.58,1.25,;-3.36,-.09,;-2.58,-1.43,;-3.38,-2.75,;-4.92,-2.75,;-2.37,-3.91,;-.95,-3.31,;.55,-3.65,;1.34,-2.33,;.33,-1.17,;-1.08,-1.77,;2.88,-2.2,;3.53,-.81,;5.06,-.67,;5.95,-1.93,;7.03,-.85,;7.21,-2.82,;5.29,-3.33,;3.76,-3.46,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Genome polyprotein [1066-1250,R1182K]/[1394-1440,K1405R,D1408E] (Dengue virus 2 (strain TSV01))	BDBM33257 (phthalazine-based compound, 8) Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |c:2,t:23| Show InChI InChI=1S/C26H24N8/c1-2-4-22-21(3-1)25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)33-34-26(22)32-20-11-7-18(8-12-20)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	1.63E+4	n/a	n/a	n/a	7.5	37
Novartis Institute for Tropical Diseases					Assay Description Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....				Anal Biochem 395: 195-204 (2009) Article DOI: 10.1016/j.ab.2009.08.013 BindingDB Entry DOI: 10.7270/Q2VM49MW
					More data for this Ligand-Target Pair

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