Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'choi' and Initial = 'sj'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344779 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344783 ((S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)(C)SC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O2S/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317169 ((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...) Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)| Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344777 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1COC1CCCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H26F3N3O3/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(27)26-6-5-25-20(28)18(26)11-29-14-3-1-2-4-14/h8,10,13-14,18H,1-7,9,11,24H2,(H,25,28)/t13-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317171 ((2'Z,3'E)-5-Fluoro-5'-fluoro-indirubin-3'-oxime | ...) Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(F)cc2c1N=O Show InChI InChI=1S/C16H9F2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317161 ((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...) Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)| Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344778 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H24F3N3O3/c1-10(2)27-9-16-18(26)23-3-4-24(16)17(25)7-12(22)5-11-6-14(20)15(21)8-13(11)19/h6,8,10,12,16H,3-5,7,9,22H2,1-2H3,(H,23,26)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317163 ((2'Z,3'E)-5-Fluoro-5'-hydroxy-indirubin-3'-oxime |...) Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H10FN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344776 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CCOC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H22F3N3O3/c1-2-26-9-15-17(25)22-3-4-23(15)16(24)7-11(21)5-10-6-13(19)14(20)8-12(10)18/h6,8,11,15H,2-5,7,9,21H2,1H3,(H,22,25)/t11-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50423773 (A-1544750 | CEP-701 | KT-5555 | LESTAURTINIB | SP9...) Show SMILES C[C@]12O[C@@H](C[C@@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18?,25-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50320578 (CHEMBL1165545 | N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3...) Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C30H35F3N4O4S/c1-2-34-25-16-22(17-26(19-25)37-13-6-7-14-42(37,40)41)29(39)36-27(15-21-9-4-3-5-10-21)28(38)20-35-24-12-8-11-23(18-24)30(31,32)33/h3-5,8-12,16-19,27-28,34-35,38H,2,6-7,13-15,20H2,1H3,(H,36,39)/t27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344782 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CN1CCOCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H25F3N4O3/c20-14-10-16(22)15(21)8-12(14)7-13(23)9-18(27)26-2-1-24-19(28)17(26)11-25-3-5-29-6-4-25/h8,10,13,17H,1-7,9,11,23H2,(H,24,28)/t13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317162 ((2'Z,3'E)-5-Chloro-5'-hydroxy-indirubin-3'-oxime |...) Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H10ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344775 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES COC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H20F3N3O3/c1-25-8-14-16(24)21-2-3-22(14)15(23)6-10(20)4-9-5-12(18)13(19)7-11(9)17/h5,7,10,14H,2-4,6,8,20H2,1H3,(H,21,24)/t10-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317177 (5-nitroindirubin-3'-oxime | CHEMBL369303) Show SMILES Oc1[nH]c2ccc(cc2c1-c1[nH]c2ccccc2c1N=O)[N+]([O-])=O |(-.11,-4.55,;.8,-3.31,;2.35,-3.31,;2.82,-1.84,;4.22,-1.22,;4.38,.32,;3.13,1.23,;1.73,.6,;1.58,-.94,;.33,-1.84,;-1.21,-1.82,;-2.13,-3.07,;-3.6,-2.58,;-4.91,-3.35,;-6.24,-2.58,;-6.24,-1.05,;-4.91,-.26,;-3.58,-1.03,;-2.11,-.57,;-1.62,.9,;-2.65,2.04,;3.29,2.75,;4.69,3.38,;2.05,3.65,)| Show InChI InChI=1S/C16H9N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17H,(H,18,21)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344788 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES COc1cc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c(cc1OC)[N+]([O-])=O |r| Show InChI InChI=1S/C23H25F3N4O6/c1-35-20-7-14(19(30(33)34)10-21(20)36-2)11-28-3-4-29(12-23(28)32)22(31)8-15(27)5-13-6-17(25)18(26)9-16(13)24/h6-7,9-10,15H,3-5,8,11-12,27H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317170 ((2'Z,3'E)-5-Chloro-5'-fluoro-indirubin-3'-oxime | ...) Show SMILES Fc1ccc2[nH]c(C3C(=O)Nc4ccc(Cl)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H9ClFN3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317164 ((2'Z,3'E)-5-Trifluoromethoxy-5'-hydroxy-indirubin-...) Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C17H10F3N3O4/c18-17(19,20)27-8-2-4-11-9(6-8)13(16(25)22-11)15-14(23-26)10-5-7(24)1-3-12(10)21-15/h1-6,13,21,24H,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317173 ((2'Z,3'E)-5-Nitro-5'-methyl-indirubin-3'-oxime | C...) Show SMILES Cc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(23.35,-22.07,;24.68,-22.84,;24.68,-24.38,;26.01,-25.15,;27.35,-24.38,;28.82,-24.86,;29.73,-23.61,;28.82,-22.35,;29.3,-20.89,;30.8,-20.57,;27.34,-22.83,;26.01,-22.07,;31.27,-23.61,;32.17,-22.36,;31.85,-20.86,;32.98,-19.83,;34.46,-20.3,;34.78,-21.81,;33.64,-22.84,;33.64,-24.38,;32.18,-24.85,;31.7,-26.32,;32.66,-18.33,;33.79,-17.29,;31.19,-17.86,)| Show InChI InChI=1S/C17H11N4O4/c1-8-2-4-13-11(6-8)15(20-23)16(18-13)14-10-7-9(21(24)25)3-5-12(10)19-17(14)22/h2-7,18H,1H3,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50313606 (CHEMBL1095687 | Sodium-3-[hydroxyimino]-2'-oxo-1,3...) Show SMILES [O-]S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,20)(H,22,23,24)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317167 ((2'Z,3'E)-5-Fluoro-5'-chloro-indirubin-3'-oxime | ...) Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O Show InChI InChI=1S/C16H9ClFN3O2/c17-7-1-3-12-10(5-7)14(21-23)15(19-12)13-9-6-8(18)2-4-11(9)20-16(13)22/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317166 ((2'Z,3'E)-5-Chloro-5'-chloro-indirubin-3'-oxime | ...) Show SMILES Clc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O Show InChI InChI=1S/C16H9Cl2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344781 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CCN(CC)C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H27F3N4O2/c1-3-25(4-2)11-17-19(28)24-5-6-26(17)18(27)9-13(23)7-12-8-15(21)16(22)10-14(12)20/h8,10,13,17H,3-7,9,11,23H2,1-2H3,(H,24,28)/t13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344774 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CO)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C15H18F3N3O3/c16-10-6-12(18)11(17)4-8(10)3-9(19)5-14(23)21-2-1-20-15(24)13(21)7-22/h4,6,9,13,22H,1-3,5,7,19H2,(H,20,24)/t9-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50317161 ((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...) Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)| Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B after 40 mins by liquid scintillation counting				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344769 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O4/c22-16-10-18(24)17(23)8-14(16)7-15(25)9-20(29)27-6-5-26(21(30)12-27)11-13-3-1-2-4-19(13)28(31)32/h1-4,8,10,15H,5-7,9,11-12,25H2/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50313604 (5'-Fluoro-1H,1'H-[2,3']biindolylidene-3,2'-dione 3...) Show SMILES Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human BACE1 preincubated for 30 min measured after 30 mins				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344780 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CCN(C)C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H25F3N4O2/c1-3-24(2)10-16-18(27)23-4-5-25(16)17(26)8-12(22)6-11-7-14(20)15(21)9-13(11)19/h7,9,12,16H,3-6,8,10,22H2,1-2H3,(H,23,27)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317165 ((2'Z,3'E)-5-Nitro-5'-chloro-indirubin-3'-oxime | C...) Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(Cl)cc4c3N=[OH+])c2c1 |(18.15,-5.7,;17.01,-6.74,;15.55,-6.27,;17.34,-8.24,;18.82,-8.71,;19.14,-10.22,;18,-11.25,;18,-12.79,;16.53,-13.26,;16.06,-14.73,;15.63,-12.02,;14.09,-12.02,;13.18,-13.27,;11.7,-12.79,;10.37,-13.56,;9.04,-12.79,;9.04,-11.25,;7.7,-10.48,;10.37,-10.48,;11.7,-11.24,;13.18,-10.76,;13.65,-9.3,;15.16,-8.98,;16.53,-10.77,;16.21,-9.27,)| Show InChI InChI=1S/C16H8ClN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344786 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c22-15-3-1-2-13(6-15)11-27-4-5-28(12-21(27)30)20(29)9-16(26)7-14-8-18(24)19(25)10-17(14)23/h1-3,6,8,10,16H,4-5,7,9,11-12,26H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50313610 (5'-Methyl-1H,1'H-[2,3']biindolylidene-3,2'-dione 3...) Show SMILES Cc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C17H13N3O2/c1-9-6-7-13-11(8-9)14(17(21)19-13)16-15(20-22)10-4-2-3-5-12(10)18-16/h2-8,14,18H,1H3,(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344787 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2Cl)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c22-16-4-2-1-3-13(16)11-27-5-6-28(12-21(27)30)20(29)9-15(26)7-14-8-18(24)19(25)10-17(14)23/h1-4,8,10,15H,5-7,9,11-12,26H2/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human BACE1 in HEK293T cells transfected with APP695 after 20 to 24 hrs by Western blot analysis				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344785 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(I)cc2)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3IN3O2/c22-17-10-19(24)18(23)8-14(17)7-16(26)9-20(29)28-6-5-27(21(30)12-28)11-13-1-3-15(25)4-2-13/h1-4,8,10,16H,5-7,9,11-12,26H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.8	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM7393 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12 Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344784 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F4N3O2/c22-15-3-1-13(2-4-15)11-27-5-6-28(12-21(27)30)20(29)9-16(26)7-14-8-18(24)19(25)10-17(14)23/h1-4,8,10,16H,5-7,9,11-12,26H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.8	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344773 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r| Show InChI InChI=1S/C22H24F3N3O3/c1-31-17-4-2-14(3-5-17)12-27-6-7-28(13-22(27)30)21(29)10-16(26)8-15-9-19(24)20(25)11-18(15)23/h2-5,9,11,16H,6-8,10,12-13,26H2,1H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.9	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344768 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O4/c22-17-10-19(24)18(23)8-14(17)7-15(25)9-20(29)27-6-5-26(21(30)12-27)11-13-1-3-16(4-2-13)28(31)32/h1-4,8,10,15H,5-7,9,11-12,25H2/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.5	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344772 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES CCc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r| Show InChI InChI=1S/C23H26F3N3O2/c1-2-15-3-5-16(6-4-15)13-28-7-8-29(14-23(28)31)22(30)11-18(27)9-17-10-20(25)21(26)12-19(17)24/h3-6,10,12,18H,2,7-9,11,13-14,27H2,1H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344765 ((R)-1-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-(...) Show SMILES N[C@@H](CC(=O)N1CCN(Cn2nnc3ccccc23)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N6O2/c22-15-10-17(24)16(23)8-13(15)7-14(25)9-20(31)28-5-6-29(21(32)11-28)12-30-19-4-2-1-3-18(19)26-27-30/h1-4,8,10,14H,5-7,9,11-12,25H2/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42.7	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344764 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)-c2ccccc2)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C27H26F3N3O2/c28-23-15-25(30)24(29)13-21(23)12-22(31)14-26(34)33-11-10-32(27(35)17-33)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,13,15,22H,10-12,14,16-17,31H2/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.8	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344770 ((R)-2-((4-(3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2C#N)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H21F3N4O2/c23-18-10-20(25)19(24)8-16(18)7-17(27)9-21(30)29-6-5-28(22(31)13-29)12-15-4-2-1-3-14(15)11-26/h1-4,8,10,17H,5-7,9,12-13,27H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.9	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344771 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H21F6N3O2/c23-17-10-19(25)18(24)8-14(17)7-15(29)9-20(32)31-6-5-30(21(33)12-31)11-13-3-1-2-4-16(13)22(26,27)28/h1-4,8,10,15H,5-7,9,11-12,29H2/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.7	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344767 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H22F3N3O2/c22-17-11-19(24)18(23)9-15(17)8-16(25)10-20(28)27-7-6-26(21(29)13-27)12-14-4-2-1-3-5-14/h1-5,9,11,16H,6-8,10,12-13,25H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54.1	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317172 ((2'Z,3'E)-5-Trifluoromethoxy-5'-fluoro-indirubin-3...) Show SMILES Fc1ccc2[nH]c(C3C(=O)Nc4ccc(OC(F)(F)F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C17H9F4N3O3/c18-7-1-3-12-10(5-7)14(24-26)15(22-12)13-9-6-8(27-17(19,20)21)2-4-11(9)23-16(13)25/h1-6,13,22H,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50304109 ((Z)-5'-Nitro-1H,1'H-[2,3']biindolylidene-3,2'-dion...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317168 ((2'Z,3'E)-5-Trifluoromethoxy-5'-chloro-indirubin-3...) Show SMILES FC(F)(F)Oc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Cl)cc2c1N=O Show InChI InChI=1S/C17H9ClF3N3O3/c18-7-1-3-12-10(5-7)14(24-26)15(22-12)13-9-6-8(27-17(19,20)21)2-4-11(9)23-16(13)25/h1-6,13,22H,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 16)	BDBM50208940 (5-bromo-pyridin-3-yl furan-2-carboxylate | 5-bromo...) Show SMILES Brc1cncc(OC(=O)c2ccco2)c1 Show InChI InChI=1S/C10H6BrNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HRV-16 protease 3C expressed in Escherichia coli BL21(DE3) by FRET assay				Bioorg Med Chem Lett 19: 3632-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.114 BindingDB Entry DOI: 10.7270/Q2542NHW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50313609 (5'-Chloro-1H,1'H-[2,3']biindolylidene-3,2'-dione 3...) Show SMILES Clc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10ClN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of FLT3 by HTRF assay				Bioorg Med Chem Lett 20: 2033-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.039 BindingDB Entry DOI: 10.7270/Q29W0GF0
					More data for this Ligand-Target Pair

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