Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'beri' and Initial = 'r'   

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 1 (Homo sapiens (Human))	BDBM50011503 (CHEMBL3261927) Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011502 (CHEMBL3261926) Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011506 (CHEMBL3261920) Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r| Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50186088 ((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...) Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011501 (CHEMBL3261925) Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C21H23N3O2/c22-15-19(24-20(25)21(23)10-12-26-13-11-21)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-14,23H2,(H,24,25)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011500 (CHEMBL3261924) Show SMILES NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011500 (CHEMBL3261924) Show SMILES NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011506 (CHEMBL3261920) Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r| Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011509 (CHEMBL3261923) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O3/c1-28-14-18-11-17(6-7-21(18)24(28)31)16-4-2-15(3-5-16)10-19(13-25)27-23(30)22-12-20(29)8-9-26-22/h2-7,11,19-20,22,26,29H,8-10,12,14H2,1H3,(H,27,30)/t19-,20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011508 (CHEMBL3261922) Show SMILES O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H22N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,19-21,25,27H,9-12H2,(H,26,28)/t19-,20-,21-/m0/s1	PDB 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011502 (CHEMBL3261926) Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MCE 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011504 (CHEMBL3261928) Show SMILES CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O3/c1-28-15-19-7-6-18(13-21(19)22(28)29)17-4-2-16(3-5-17)12-20(14-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,15,26H2,1H3,(H,27,30)/t20-/m0/s1	PDB 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011507 (CHEMBL3261921) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O2/c1-28-15-19-13-18(9-10-21(19)24(28)30)17-7-5-16(6-8-17)12-20(14-25)27-23(29)22-4-2-3-11-26-22/h5-10,13,20,22,26H,2-4,11-12,15H2,1H3,(H,27,29)/t20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011503 (CHEMBL3261927) Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011505 (CHEMBL3261919) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C22H22N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,20-21,25H,1-3,12-13H2,(H,26,27)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10007 (4-[(6-methoxy-1-benzofuran-2-yl)(1H-1,2,4-triazol-...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C19H14N4O2/c1-24-16-7-6-15-8-18(25-17(15)9-16)19(23-12-21-11-22-23)14-4-2-13(10-20)3-5-14/h2-9,11-12,19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011508 (CHEMBL3261922) Show SMILES O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C22H22N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,19-21,25,27H,9-12H2,(H,26,28)/t19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10013 (4-[(6-Hydroxybenzofuran-2-yl)-[1,2,4]triazol-1-ylm...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C18H12N4O2/c19-9-12-1-3-13(4-2-12)18(22-11-20-10-21-22)17-7-14-5-6-15(23)8-16(14)24-17/h1-8,10-11,18,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011507 (CHEMBL3261921) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O2/c1-28-15-19-13-18(9-10-21(19)24(28)30)17-7-5-16(6-8-17)12-20(14-25)27-23(29)22-4-2-3-11-26-22/h5-10,13,20,22,26H,2-4,11-12,15H2,1H3,(H,27,29)/t20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011501 (CHEMBL3261925) Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C21H23N3O2/c22-15-19(24-20(25)21(23)10-12-26-13-11-21)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-14,23H2,(H,24,25)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011505 (CHEMBL3261919) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C22H22N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,20-21,25H,1-3,12-13H2,(H,26,27)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011509 (CHEMBL3261923) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O3/c1-28-14-18-11-17(6-7-21(18)24(28)31)16-4-2-15(3-5-16)10-19(13-25)27-23(30)22-12-20(29)8-9-26-22/h2-7,11,19-20,22,26,29H,8-10,12,14H2,1H3,(H,27,30)/t19-,20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10005 (1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C18H14ClN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10000 ((4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1 Show InChI InChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10004 (1-[(4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1 Show InChI InChI=1S/C18H14FN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10001 ((4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C21H16ClNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011504 (CHEMBL3261928) Show SMILES CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O3/c1-28-15-19-7-6-18(13-21(19)22(28)29)17-4-2-16(3-5-17)12-20(14-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,15,26H2,1H3,(H,27,30)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10014 (2-[(4-Nitrophenyl)-[1,2,4]triazol-1-ylmethyl]benzo...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1 Show InChI InChI=1S/C17H12N4O4/c22-14-6-3-12-7-16(25-15(12)8-14)17(20-10-18-9-19-20)11-1-4-13(5-2-11)21(23)24/h1-10,17,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50186088 ((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...) Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10009 (1-[(6-Methoxybenzofuran-2-yl)-p-tolylmethyl]-1H-1,...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1 Show InChI InChI=1S/C19H17N3O2/c1-13-3-5-14(6-4-13)19(22-12-20-11-21-22)18-9-15-7-8-16(23-2)10-17(15)24-18/h3-12,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011510 (CHEMBL3261918) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C21H23N3O/c22-15-19(24-21(25)20-8-4-5-13-23-20)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-3,6-7,9-12,19-20,23H,4-5,8,13-14H2,(H,24,25)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10003 (1-[(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)met...) Show SMILES COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1ccnc1 Show InChI InChI=1S/C20H18N2O3/c1-23-16-6-3-14(4-7-16)20(22-10-9-21-13-22)19-11-15-5-8-17(24-2)12-18(15)25-19/h3-13,20H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10006 (1-[(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)met...) Show SMILES COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1 Show InChI InChI=1S/C19H17N3O3/c1-23-15-6-3-13(4-7-15)19(22-12-20-11-21-22)18-9-14-5-8-16(24-2)10-17(14)25-18/h3-12,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10010 (1-[(6-Methoxybenzofuran-2-yl)-(4-trifluoromethylph...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)C(F)(F)F)n1cncn1 Show InChI InChI=1S/C19H14F3N3O2/c1-26-15-7-4-13-8-17(27-16(13)9-15)18(25-11-23-10-24-25)12-2-5-14(6-3-12)19(20,21)22/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50011510 (CHEMBL3261918) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C21H23N3O/c22-15-19(24-21(25)20-8-4-5-13-23-20)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-3,6-7,9-12,19-20,23H,4-5,8,13-14H2,(H,24,25)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10002 ((6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)-3-pyr...) Show SMILES COc1ccc(cc1)C(O)(c1cc2ccc(OC)cc2o1)c1cccnc1 Show InChI InChI=1S/C22H19NO4/c1-25-18-9-6-16(7-10-18)22(24,17-4-3-11-23-14-17)21-12-15-5-8-19(26-2)13-20(15)27-21/h3-14,24H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50011507 (CHEMBL3261921) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O2/c1-28-15-19-13-18(9-10-21(19)24(28)30)17-7-5-16(6-8-17)12-20(14-25)27-23(29)22-4-2-3-11-26-22/h5-10,13,20,22,26H,2-4,11-12,15H2,1H3,(H,27,29)/t20-,22-/m0/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	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cathepsin K (unknown origin)				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50011506 (CHEMBL3261920) Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r| Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/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	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cathepsin K (unknown origin)				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308952 (4-Methyl-6-({3-[(4-methylpiperidino)carbonyl]-benz...) Show SMILES CC1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10008 (1-[(6-Methoxybenzofuran-2-yl)-(4-nitrophenyl)methy...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1 Show InChI InChI=1S/C18H14N4O4/c1-25-15-7-4-13-8-17(26-16(13)9-15)18(21-11-19-10-20-21)12-2-5-14(6-3-12)22(23)24/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the inhibitor compounds on aromatase activity using human placental microsomes.				J Enzyme Inhib Med Chem 20: 135-41 (2005) Article DOI: 10.1080/14756360400015256 BindingDB Entry DOI: 10.7270/Q2B56H9Z
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308954 (4-Methyl-6-{[3-(tetrahydro-1H-1-pyrrolylcarbonyl)-...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCC3)cc12 Show InChI InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308951 (4-Methyl-6-{[3-(piperidinocarbonyl)benzyl]oxy}-1,2...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCCC3)cc12 Show InChI InChI=1S/C23H24N2O3/c1-16-12-22(26)24-21-9-8-19(14-20(16)21)28-15-17-6-5-7-18(13-17)23(27)25-10-3-2-4-11-25/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50308949 (1-(3-{[(4-Methyl-2-oxo-1,2-dihydro-6-quinolinyl)ox...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(CC3)C(O)=O)cc12 Show InChI InChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308950 (6-({3-[(4-Hydroxypiperidino)carbonyl]benzyl}oxy)-4...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(O)CC3)cc12 Show InChI InChI=1S/C23H24N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13,18,26H,7-10,14H2,1H3,(H,24,27)	PDB MMDB 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	910	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50011505 (CHEMBL3261919) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C22H22N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,20-21,25H,1-3,12-13H2,(H,26,27)/t20-,21-/m0/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cathepsin K (unknown origin)				J Med Chem 57: 2357-67 (2014) Article DOI: 10.1021/jm401705g BindingDB Entry DOI: 10.7270/Q20866VB
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308948 (4-Methyl-6-(3-[(4-oxopiperidino)carbonyl]benzyloxy...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(=O)CC3)cc12 Show InChI InChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)	PDB MMDB 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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Homo sapiens (Human))	BDBM50308954 (4-Methyl-6-{[3-(tetrahydro-1H-1-pyrrolylcarbonyl)-...) Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCC3)cc12 Show InChI InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25)	PDB MMDB 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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of human PDE3B by fluorescence microplate reader				Bioorg Med Chem 18: 855-62 (2010) Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10011 (1-[(4-ethylphenyl)(6-methoxy-1-benzofuran-2-yl)met...) Show SMILES CCc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1 Show InChI InChI=1S/C20H19N3O2/c1-3-14-4-6-15(7-5-14)20(23-13-21-12-22-23)19-10-16-8-9-17(24-2)11-18(16)25-19/h4-13,20H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair

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