Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'yuan' and Initial = 'b'   

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
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527733 (CHEMBL4552922) Show SMILES C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r| Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human NIK using ATP as substrate by kinase-glo assay				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527759 (CHEMBL4448524) Show SMILES CN1CCC(O)(C#Cc2ccc(F)c(c2)-c2c[nH]c3cnc(N)nc23)C1=O Show InChI InChI=1S/C19H16FN5O2/c1-25-7-6-19(27,17(25)26)5-4-11-2-3-14(20)12(8-11)13-9-22-15-10-23-18(21)24-16(13)15/h2-3,8-10,22,27H,6-7H2,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527726 (CHEMBL4445719) Show SMILES C[C@@](O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 |r| Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-6-7-27-17)5-4-11-2-3-14(20)12(8-11)13-9-23-15-10-24-18(21)25-16(13)15/h2-3,6-10,23,26H,1H3,(H2,21,24,25)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527733 (CHEMBL4552922) Show SMILES C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r| Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527761 (CHEMBL4447392) Show SMILES CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C18H14N6OS/c1-18(25,16-21-7-9-26-16)5-2-13-10-14(3-6-20-13)24-8-4-12-11-22-17(19)23-15(12)24/h3-4,6-11,25H,1H3,(H2,19,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527745 (CHEMBL4434804) Show SMILES CN1CCCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O Show InChI InChI=1S/C19H18N6O2/c1-24-9-2-6-19(27,17(24)26)7-3-14-11-15(4-8-21-14)25-10-5-13-12-22-18(20)23-16(13)25/h4-5,8,10-12,27H,2,6,9H2,1H3,(H2,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527744 (CHEMBL4520250) Show SMILES CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O Show InChI InChI=1S/C18H16N6O2/c1-23-9-6-18(26,16(23)25)5-2-13-10-14(3-7-20-13)24-8-4-12-11-21-17(19)22-15(12)24/h3-4,7-8,10-11,26H,6,9H2,1H3,(H2,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550973 (CHEMBL4784857) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(no3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r| 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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550969 (CHEMBL4744389) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(c[nH]3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550967 (CHEMBL4762199) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)n3cc(nn3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550977 (CHEMBL4740282) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(cs3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207291 (CHEMBL3902771) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCC3CCN(CC3)C(=O)OC(C)C)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C27H41N7O4/c1-5-6-14-33-22-23(29-25(33)32-13-8-10-21(28)18-32)30(4)26(36)34(24(22)35)15-7-9-20-11-16-31(17-12-20)27(37)38-19(2)3/h19-21H,7-18,28H2,1-4H3/t21-/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	73	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550975 (CHEMBL4742337) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nnc([nH]3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550976 (CHEMBL4799779) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3cc(C)nn3-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527764 (CHEMBL4556033) Show SMILES CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3c(C)nc(N)nc23)C1=O Show InChI InChI=1S/C19H18N6O2/c1-12-15-5-9-25(16(15)23-18(20)22-12)14-4-8-21-13(11-14)3-6-19(27)7-10-24(2)17(19)26/h4-5,8-9,11,27H,7,10H2,1-2H3,(H2,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527724 (CHEMBL4473180) Show SMILES CC(O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-6-7-27-17)5-4-11-2-3-14(20)12(8-11)13-9-23-15-10-24-18(21)25-16(13)15/h2-3,6-10,23,26H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527748 (CHEMBL4472671) Show SMILES CC(O)(C#Cc1cc(c(F)cn1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C18H13FN6OS/c1-18(26,16-21-5-7-27-16)4-2-12-8-14(13(19)10-22-12)25-6-3-11-9-23-17(20)24-15(11)25/h3,5-10,26H,1H3,(H2,20,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527729 (CHEMBL4453280) Show SMILES Cc1cc(no1)C(C)(O)C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12 Show InChI InChI=1S/C19H16N6O2/c1-12-9-16(24-27-12)19(2,26)6-3-14-10-15(4-7-21-14)25-8-5-13-11-22-18(20)23-17(13)25/h4-5,7-11,26H,1-2H3,(H2,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550970 (CHEMBL4750433) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3ncc(o3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527753 (CHEMBL4458157) Show SMILES COc1ccc(cc1-c1c[nH]c2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5O2S/c1-20(26,18-22-7-8-28-18)6-5-12-3-4-16(27-2)13(9-12)14-10-23-15-11-24-19(21)25-17(14)15/h3-4,7-11,23,26H,1-2H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207295 (CHEMBL3984849) Show SMILES COc1ccc(NC(=O)C2CCN(CCCn3c(=O)n(C)c4nc(N5CCC[C@@H](N)C5)n(CC#CC)c4c3=O)CC2)cc1 |r| Show InChI InChI=1S/C31H42N8O4/c1-4-5-17-38-26-27(34-30(38)37-16-6-8-23(32)21-37)35(2)31(42)39(29(26)41)18-7-15-36-19-13-22(14-20-36)28(40)33-24-9-11-25(43-3)12-10-24/h9-12,22-23H,6-8,13-21,32H2,1-3H3,(H,33,40)/t23-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207293 (CHEMBL3892718) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)OC(C)C)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C27H41N7O4/c1-5-6-14-33-22-23(29-26(33)32-13-7-9-21(28)18-32)30(4)27(37)34(24(22)35)15-8-12-31-16-10-20(11-17-31)25(36)38-19(2)3/h19-21H,7-18,28H2,1-4H3/t21-/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207300 (CHEMBL3980269) Show SMILES CCOC(=O)C1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r| Show InChI InChI=1S/C26H39N7O4/c1-4-6-14-32-21-22(28-25(32)31-13-7-9-20(27)18-31)29(3)26(36)33(23(21)34)15-8-12-30-16-10-19(11-17-30)24(35)37-5-2/h19-20H,5,7-18,27H2,1-3H3/t20-/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550968 (CHEMBL4743350) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(cs3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550971 (CHEMBL4783756) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3cc(on3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527730 (CHEMBL4468246) Show SMILES CCc1nc(N)nc2n(ccc12)-c1ccnc(c1)C#CC1(O)CCN(C)C1=O Show InChI InChI=1S/C20H20N6O2/c1-3-16-15-6-10-26(17(15)24-19(21)23-16)14-5-9-22-13(12-14)4-7-20(28)8-11-25(2)18(20)27/h5-6,9-10,12,28H,3,8,11H2,1-2H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527769 (CHEMBL4587413) Show SMILES CC(O)(C#Cc1cc(ccc1F)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-10-14(2-3-15(12)20)25-8-5-13-11-23-18(21)24-16(13)25/h2-3,5,7-11,26H,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527735 (CHEMBL4555743) Show SMILES CC(O)(C#Cc1ccc(F)c(c1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-14(20)15(10-12)25-8-5-13-11-23-18(21)24-16(13)25/h2-3,5,7-11,26H,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527737 (CHEMBL4536229) Show SMILES COc1ccc(cc1-n1ccc2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5O2S/c1-20(26,18-22-8-10-28-18)7-5-13-3-4-16(27-2)15(11-13)25-9-6-14-12-23-19(21)24-17(14)25/h3-4,6,8-12,26H,1-2H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527751 (CHEMBL4448072) Show SMILES CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H15N5OS/c1-19(25,17-21-7-8-26-17)6-5-12-3-2-4-13(9-12)14-10-22-15-11-23-18(20)24-16(14)15/h2-4,7-11,22,25H,1H3,(H2,20,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527738 (CHEMBL4526578) Show SMILES CC(O)(C#Cc1cc(ccc1C#N)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C20H14N6OS/c1-20(27,18-23-7-9-28-18)6-4-13-10-16(3-2-14(13)11-21)26-8-5-15-12-24-19(22)25-17(15)26/h2-3,5,7-10,12,27H,1H3,(H2,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207277 (CHEMBL3976778) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)Nc3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C30H40N8O3/c1-3-4-17-37-25-26(33-29(37)36-16-8-10-23(31)21-36)34(2)30(41)38(28(25)40)18-9-15-35-19-13-22(14-20-35)27(39)32-24-11-6-5-7-12-24/h5-7,11-12,22-23H,8-10,13-21,31H2,1-2H3,(H,32,39)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550966 (CHEMBL4761281) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(no3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527746 (CHEMBL4450626) Show SMILES Nc1ncc2ccn(-c3ccnc(c3)C#CC3(O)CCCC3)c2n1 Show InChI InChI=1S/C18H17N5O/c19-17-21-12-13-5-10-23(16(13)22-17)15-4-9-20-14(11-15)3-8-18(24)6-1-2-7-18/h4-5,9-12,24H,1-2,6-7H2,(H2,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207287 (CHEMBL3910158) Show SMILES COC(=O)C1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r| Show InChI InChI=1S/C25H37N7O4/c1-4-5-13-31-20-21(27-24(31)30-12-6-8-19(26)17-30)28(2)25(35)32(22(20)33)14-7-11-29-15-9-18(10-16-29)23(34)36-3/h18-19H,6-17,26H2,1-3H3/t19-/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207290 (CHEMBL3901674) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCCC3CCN(CC3)C(=O)OC(C)C)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C28H43N7O4/c1-5-6-15-34-23-24(30-26(34)33-14-9-11-22(29)19-33)31(4)27(37)35(25(23)36)16-8-7-10-21-12-17-32(18-13-21)28(38)39-20(2)3/h20-22H,7-19,29H2,1-4H3/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207283 (CHEMBL3897118) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)N(C)C)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C26H40N8O3/c1-5-6-14-33-21-22(28-25(33)32-13-7-9-20(27)18-32)30(4)26(37)34(24(21)36)15-8-12-31-16-10-19(11-17-31)23(35)29(2)3/h19-20H,7-18,27H2,1-4H3/t20-/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	260	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550972 (CHEMBL4796411) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nnnn3-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207294 (CHEMBL3968249) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)Oc3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C30H39N7O4/c1-3-4-17-36-25-26(32-29(36)35-16-8-10-23(31)21-35)33(2)30(40)37(27(25)38)18-9-15-34-19-13-22(14-20-34)28(39)41-24-11-6-5-7-12-24/h5-7,11-12,22-23H,8-10,13-21,31H2,1-2H3/t23-/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	280	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527755 (CHEMBL4519315) Show SMILES Cc1cc(no1)C(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12 Show InChI InChI=1S/C20H17N5O2/c1-12-8-17(25-27-12)20(2,26)7-6-13-4-3-5-14(9-13)15-10-22-16-11-23-19(21)24-18(15)16/h3-5,8-11,22,26H,1-2H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527731 (CHEMBL4458507) Show SMILES COc1cc(cc(c1)-c1c[nH]c2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5O2S/c1-20(26,18-22-5-6-28-18)4-3-12-7-13(9-14(8-12)27-2)15-10-23-16-11-24-19(21)25-17(15)16/h5-11,23,26H,1-2H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207278 (CHEMBL3898220) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)Nc3ccc(C)cc3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C31H42N8O3/c1-4-5-17-38-26-27(34-30(38)37-16-6-8-24(32)21-37)35(3)31(42)39(29(26)41)18-7-15-36-19-13-23(14-20-36)28(40)33-25-11-9-22(2)10-12-25/h9-12,23-24H,6-8,13-21,32H2,1-3H3,(H,33,40)/t24-/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	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527734 (CHEMBL4569126) Show SMILES CC(O)(C#Cc1cccc(c1)-n1ccc2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H15N5OS/c1-19(25,17-21-8-10-26-17)7-5-13-3-2-4-15(11-13)24-9-6-14-12-22-18(20)23-16(14)24/h2-4,6,8-12,25H,1H3,(H2,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527765 (CHEMBL4444157) Show SMILES CC(O)(C#Cc1cc(F)cc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-4-5-27-17)3-2-11-6-12(8-13(20)7-11)14-9-23-15-10-24-18(21)25-16(14)15/h4-10,23,26H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527770 (CHEMBL4534080) Show SMILES Cc1ccc(cc1-n1ccc2cnc(N)nc12)C#CC(C)(O)c1nccs1 Show InChI InChI=1S/C20H17N5OS/c1-13-3-4-14(5-7-20(2,26)18-22-8-10-27-18)11-16(13)25-9-6-15-12-23-19(21)24-17(15)25/h3-4,6,8-12,26H,1-2H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550983 (CHEMBL4749117) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(F)cn3)c(=O)c12)N1CCC[C@@H](N)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	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50550974 (CHEMBL4795875) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(ns3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)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	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.ejmech.2019.112017 BindingDB Entry DOI: 10.7270/Q2V98CP1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50207281 (CHEMBL3896047) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)Nc3ccc(Cl)cc3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C30H39ClN8O3/c1-3-4-16-38-25-26(34-29(38)37-15-5-7-23(32)20-37)35(2)30(42)39(28(25)41)17-6-14-36-18-12-21(13-19-36)27(40)33-24-10-8-22(31)9-11-24/h8-11,21,23H,5-7,12-20,32H2,1-2H3,(H,33,40)/t23-/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	360	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair

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