Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50011896   

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))	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50462415 (CHEMBL4250492) Show SMILES N[C@@H](CCn1cc(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H16F3N5/c18-14-9-16(20)15(19)8-12(14)7-13(21)3-6-25-10-17(23-24-25)11-1-4-22-5-2-11/h1-2,4-5,8-10,13H,3,6-7,21H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552244 (CHEMBL4790735) Show SMILES N[C@@H](CCn1cc(nn1)-c1cccnc1)Cc1cc(F)c(F)cc1F |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	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552247 (CHEMBL4789426) Show SMILES CC(C)(C)c1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1 |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	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552246 (CHEMBL4747721) Show SMILES Cc1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1 |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	133	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552243 (CHEMBL4750352) Show SMILES N[C@@H](CCn1cc(nn1)-c1ccccn1)Cc1cc(F)c(F)cc1F |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	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552245 (CHEMBL4792546) Show SMILES N[C@@H](CCn1ccnn1)Cc1cc(F)c(F)cc1F |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	254	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552250 (CHEMBL4745231) Show SMILES N[C@@H](Cc1cn(nn1)-c1cccc2ncccc12)Cc1cc(F)c(F)cc1F |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	265	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552248 (CHEMBL4790799) Show SMILES N[C@@H](Cc1cn(nn1)-c1cccnc1)Cc1cc(F)c(F)cc1F |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	305	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552249 (CHEMBL4763110) Show SMILES N[C@@H](Cc1cn(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F |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	427	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50552251 (CHEMBL4798357) Show SMILES N[C@@H](Cc1cn(nn1)-c1ccc2ncccc2c1)Cc1cc(F)c(F)cc1F |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	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115861 BindingDB Entry DOI: 10.7270/Q2930XTC
					More data for this Ligand-Target Pair