Compile Data Set for Download or QSAR

Found 857 hits with Last Name = 'jansen' and Initial = 'k'   

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
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434169 (CHEMBL2385300 | US9346814, Cmpd No 22 Example 26) Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r| Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50430745 (CHEMBL2333951) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNc1ccccc1CC[NH3+] |r,w:8.8| Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/p+1/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50430742 (Blutene | TOLONIUM CHLORIDE | Toluidine Blue O) Show SMILES Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C |(19,-12.67,;17.67,-11.9,;16.33,-12.67,;15,-11.9,;13.67,-12.67,;12.34,-11.9,;11,-12.67,;9.67,-11.9,;9.67,-10.36,;11,-9.59,;12.34,-10.36,;13.67,-9.59,;15,-10.36,;16.33,-9.59,;17.67,-10.36,;19,-9.59,;8.33,-9.59,;7,-10.36,;8.33,-8.05,)| Show InChI InChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant tau (unknown origin) aggregation				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4| Show InChI InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50430746 (CHEMBL2333950) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNCC[NH3+] |r,w:8.8| Show InChI InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/p+1/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50430747 (CHEMBL2333949) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H](CC[NH3+])C(N)=O |r,w:8.8| Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/p+1/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50240716 ((S)-2-Amino-5-(N'-propyl-guanidino)-pentanoic acid...) Show SMILES CCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6| Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50002450 ((2S)-2-ammonio-5-{[(cyclopropylamino)(iminio)methy...) Show SMILES [NH3+][C@@H](CCCNC(=[NH2+])NC1CC1)C([O-])=O Show InChI InChI=1S/C9H18N4O2/c10-7(8(14)15)2-1-5-12-9(11)13-6-3-4-6/h6-7H,1-5,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50430748 (CHEMBL2333948) Show SMILES COC(=O)[C@@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H]([NH3+])Cc1ccccc1 |r,w:11.11| Show InChI InChI=1S/C16H24N6O5/c1-27-15(24)13(8-5-9-19-16(18)21-22(25)26)20-14(23)12(17)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,20,23)(H3,18,19,21)/p+1/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585273 (CHEMBL5076031) Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585274 (CHEMBL5082556) Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585274 (CHEMBL5082556) Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585281 (CHEMBL5079623) Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009366 (CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009366 (CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009364 (CHEMBL3233840) Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C17H15FN4O2/c18-11-7-12(8-19)22(10-11)16(23)9-21-17(24)14-5-6-20-15-4-2-1-3-13(14)15/h1-6,11-12H,7,9-10H2,(H,21,24)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585280 (CHEMBL5090966) Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585281 (CHEMBL5079623) Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009370 (CHEMBL3233847) Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C16H18BN3O4/c21-15(20-9-3-6-14(20)17(23)24)10-19-16(22)12-7-8-18-13-5-2-1-4-11(12)13/h1-2,4-5,7-8,14,23-24H,3,6,9-10H2,(H,19,22)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009360 (CHEMBL3233835 | US9346814, Cmpd No 23 Example 27) Show SMILES Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r| Show InChI InChI=1S/C18H18N4O2/c1-12-4-2-6-15-17(12)14(7-8-20-15)18(24)21-11-16(23)22-9-3-5-13(22)10-19/h2,4,6-8,13H,3,5,9,11H2,1H3,(H,21,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009360 (CHEMBL3233835 | US9346814, Cmpd No 23 Example 27) Show SMILES Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r| Show InChI InChI=1S/C18H18N4O2/c1-12-4-2-6-15-17(12)14(7-8-20-15)18(24)21-11-16(23)22-9-3-5-13(22)10-19/h2,4,6-8,13H,3,5,9,11H2,1H3,(H,21,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585272 (CHEMBL5078844) Show SMILES OC(=O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585280 (CHEMBL5090966) Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585278 (CHEMBL5073747) Show SMILES CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585278 (CHEMBL5073747) Show SMILES CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50382287 (CHEMBL2024671) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human recombinant PREP expressed in Escherichia coli assessed as pNA release from Z-Gly-Pro-p-nitroanilide pre-incubated with enzyme fo...				Bioorg Med Chem Lett 22: 3412-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.107 BindingDB Entry DOI: 10.7270/Q27D2W5P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585273 (CHEMBL5076031) Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434163 (CHEMBL2385273 | US9346814, Cmpd No 12 Example 15) Show SMILES Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H15BrN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434163 (CHEMBL2385273 | US9346814, Cmpd No 12 Example 15) Show SMILES Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H15BrN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585262 (CHEMBL5081728) Show SMILES OC(=O)Cn1nc(Cc2nc3cc(c(OCC4CC4)cc3[nH]2)C(F)(F)F)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM233322 (US9346814, Cmpd No 27 Example 32) Show SMILES Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1[N+]#[C-] |r| Show InChI InChI=1S/C18H18N4O2/c1-12-5-6-13-14(7-8-20-15(13)10-12)18(24)21-11-17(23)22-9-3-4-16(22)19-2/h5-8,10,16H,3-4,9,11H2,1H3,(H,21,24)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009359 (CHEMBL3233834) Show SMILES Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H18N4O2/c1-12-4-5-14-15(6-7-20-16(14)9-12)18(24)21-11-17(23)22-8-2-3-13(22)10-19/h4-7,9,13H,2-3,8,11H2,1H3,(H,21,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434164 (CHEMBL2385272 | US9346814, Cmpd No 13 Example 16) Show SMILES Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H15ClN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434164 (CHEMBL2385272 | US9346814, Cmpd No 13 Example 16) Show SMILES Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H15ClN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585271 (CHEMBL5070413) Show SMILES OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585281 (CHEMBL5079623) Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitment				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585276 (CHEMBL5093130) Show SMILES CC(C)(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585270 (CHEMBL5079608) Show SMILES OC(=O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009331 (CHEMBL3233843 | US9346814, Cmpd No 24 Example 28) Show SMILES COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r| Show InChI InChI=1S/C18H16F2N4O3/c1-27-12-2-3-15-14(6-12)13(4-5-22-15)17(26)23-9-16(25)24-10-18(19,20)7-11(24)8-21/h2-6,11H,7,9-10H2,1H3,(H,23,26)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50009331 (CHEMBL3233843 | US9346814, Cmpd No 24 Example 28) Show SMILES COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r| Show InChI InChI=1S/C18H16F2N4O3/c1-27-12-2-3-15-14(6-12)13(4-5-22-15)17(26)23-9-16(25)24-10-18(19,20)7-11(24)8-21/h2-6,11H,7,9-10H2,1H3,(H,23,26)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585261 (CHEMBL5076737) Show SMILES OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50585271 (CHEMBL5070413) Show SMILES OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434165 (CHEMBL2385271 | US9346814, Cmpd No 11 Example 14) Show SMILES COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r| Show InChI InChI=1S/C18H18N4O3/c1-25-13-4-5-16-15(9-13)14(6-7-20-16)18(24)21-11-17(23)22-8-2-3-12(22)10-19/h4-7,9,12H,2-3,8,11H2,1H3,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434165 (CHEMBL2385271 | US9346814, Cmpd No 11 Example 14) Show SMILES COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r| Show InChI InChI=1S/C18H18N4O3/c1-25-13-4-5-16-15(9-13)14(6-7-20-16)18(24)21-11-17(23)22-8-2-3-12(22)10-19/h4-7,9,12H,2-3,8,11H2,1H3,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434170 (CHEMBL2385299 | US9346814, Cmpd No 21 Example 25) Show SMILES Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r| Show InChI InChI=1S/C17H15ClN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434170 (CHEMBL2385299 | US9346814, Cmpd No 21 Example 25) Show SMILES Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r| Show InChI InChI=1S/C17H15ClN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Mus musculus (Mouse))	BDBM50434166 (CHEMBL2385270 | US9346814, Cmpd No 6 Example 9) Show SMILES Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r| Show InChI InChI=1S/C17H15FN4O2/c18-11-3-4-15-14(8-11)13(5-6-20-15)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1	PDB UniProtKB/SwissProt 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
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair

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