Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'delcros' and Initial = 'jg'   

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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50069792 ((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r| Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Rennes 1 Curated by ChEMBL					Assay Description Inhibitory concentration against Calpain I activity				J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475621 (CHEMBL371434) Show SMILES CN(C1c2ccccc2N=C(NCCCNCCCCNCCCN)C1(C)C)c1ccccc1 |t:10| Show InChI InChI=1S/C28H44N6/c1-28(2)26(34(3)23-13-5-4-6-14-23)24-15-7-8-16-25(24)33-27(28)32-22-12-21-31-19-10-9-18-30-20-11-17-29/h4-8,13-16,26,30-31H,9-12,17-22,29H2,1-3H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475612 (CHEMBL201169) Show SMILES [H][C@]12c3ccccc3N=C(NCCCNCCCCNCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9| Show InChI InChI=1S/C30H46N6/c1-22-21-30(2)28(24-12-8-14-26(32-3)27(22)24)23-11-4-5-13-25(23)36-29(30)35-20-10-19-34-17-7-6-16-33-18-9-15-31/h4-5,8,11-14,22,28,32-34H,6-7,9-10,15-21,31H2,1-3H3,(H,35,36)/t22-,28-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475614 (CHEMBL201249) Show SMILES [H][C@@]12N(C)c3ccccc3C(C)C[C@]1(C)C(NCCCNCCCCNCCCN)=Nc1ccccc21 |c:31| Show InChI InChI=1S/C30H46N6/c1-23-22-30(2)28(36(3)27-15-7-5-12-24(23)27)25-13-4-6-14-26(25)35-29(30)34-21-11-20-33-18-9-8-17-32-19-10-16-31/h4-7,12-15,23,28,32-33H,8-11,16-22,31H2,1-3H3,(H,34,35)/t23?,28-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475620 (CHEMBL372819) Show SMILES [H][C@]12c3ccccc3N=C(NCCCNCCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9| Show InChI InChI=1S/C27H39N5/c1-19-18-27(2)25(21-11-8-13-23(29-3)24(19)21)20-10-4-5-12-22(20)32-26(27)31-17-9-16-30-15-7-6-14-28/h4-5,8,10-13,19,25,29-30H,6-7,9,14-18,28H2,1-3H3,(H,31,32)/t19-,25-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475624 (CHEMBL202832) Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCNCCCCNCCCN)C1(C)C |t:17| Show InChI InChI=1S/C28H44N6/c1-28(2)26(22-12-14-23(30-3)15-13-22)24-10-4-5-11-25(24)34-27(28)33-21-9-20-32-18-7-6-17-31-19-8-16-29/h4-5,10-15,26,30-32H,6-9,16-21,29H2,1-3H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475615 (CHEMBL425927) Show SMILES CN(C1c2ccccc2N=C(NCCCNCCCCN)C1(C)C)c1ccccc1 |t:10| Show InChI InChI=1S/C25H37N5/c1-25(2)23(30(3)20-12-5-4-6-13-20)21-14-7-8-15-22(21)29-24(25)28-19-11-18-27-17-10-9-16-26/h4-8,12-15,23,27H,9-11,16-19,26H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475617 (CHEMBL433988) Show SMILES CN(C1c2ccccc2N=C(NCCCCN)C1(C)C)c1ccccc1 |t:10| Show InChI InChI=1S/C22H30N4/c1-22(2)20(26(3)17-11-5-4-6-12-17)18-13-7-8-14-19(18)25-21(22)24-16-10-9-15-23/h4-8,11-14,20H,9-10,15-16,23H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475616 (CHEMBL199878) Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCNCCCCN)C1(C)C |t:17| Show InChI InChI=1S/C25H37N5/c1-25(2)23(19-11-13-20(27-3)14-12-19)21-9-4-5-10-22(21)30-24(25)29-18-8-17-28-16-7-6-15-26/h4-5,9-14,23,27-28H,6-8,15-18,26H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM86164 (N1-DnsSpm | N1-dansyl-spermidine) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C22H37N5O2S/c1-27(2)21-11-5-10-20-19(21)9-6-12-22(20)30(28,29)26-18-8-17-25-15-4-3-14-24-16-7-13-23/h5-6,9-12,24-26H,3-4,7-8,13-18,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Rennes Curated by ChEMBL					Assay Description Inhibition of calmodulin dependent phosphodiesterase				Bioorg Med Chem Lett 8: 635-40 (1998) BindingDB Entry DOI: 10.7270/Q2NV9MFT
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475623 (CHEMBL382499) Show SMILES [H][C@]12c3ccccc3N=C(NCCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9| Show InChI InChI=1S/C24H32N4/c1-16-15-24(2)22(18-10-8-12-20(26-3)21(16)18)17-9-4-5-11-19(17)28-23(24)27-14-7-6-13-25/h4-5,8-12,16,22,26H,6-7,13-15,25H2,1-3H3,(H,27,28)/t16-,22-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475613 (CHEMBL102072) Show SMILES [H][C@@]12N(C)c3ccccc3C(C)C[C@]1(C)C(NCCCCN)=Nc1ccccc21 |c:23| Show InChI InChI=1S/C24H32N4/c1-17-16-24(2)22(28(3)21-13-7-5-10-18(17)21)19-11-4-6-12-20(19)27-23(24)26-15-9-8-14-25/h4-7,10-13,17,22H,8-9,14-16,25H2,1-3H3,(H,26,27)/t17?,22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50216731 (CHEMBL158848) Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H29N5O3/c18-9-3-12-19-10-1-2-11-20-13-4-14-21-17(23)15-5-7-16(8-6-15)22(24)25/h5-8,19-20H,1-4,9-14,18H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Rennes Curated by ChEMBL					Assay Description Inhibition of calmodulin dependent phosphodiesterase				Bioorg Med Chem Lett 8: 635-40 (1998) BindingDB Entry DOI: 10.7270/Q2NV9MFT
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50216732 (CHEMBL423054) Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNCc1ccccc1 Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Rennes Curated by ChEMBL					Assay Description Inhibition of calmodulin dependent phosphodiesterase				Bioorg Med Chem Lett 8: 635-40 (1998) BindingDB Entry DOI: 10.7270/Q2NV9MFT
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475618 (CHEMBL199956) Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCCN)C1(C)C |t:17| Show InChI InChI=1S/C22H30N4/c1-22(2)20(16-10-12-17(24-3)13-11-16)18-8-4-5-9-19(18)26-21(22)25-15-7-6-14-23/h4-5,8-13,20,24H,6-7,14-15,23H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50009353 (1,5,10-triazadecane | 4-azaoctamethylenediamine | ...) Show SMILES NCCCCNCCCN Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475610 (CHEMBL372198) Show SMILES NCCCCNCCCNC1=Nc2ccccc2CC1 |t:10| Show InChI InChI=1S/C16H26N4/c17-10-3-4-11-18-12-5-13-19-16-9-8-14-6-1-2-7-15(14)20-16/h1-2,6-7,18H,3-5,8-13,17H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475608 (CHEMBL383190) Show SMILES NCCCCNC1=Nc2ccccc2CC1 |t:6| Show InChI InChI=1S/C13H19N3/c14-9-3-4-10-15-13-8-7-11-5-1-2-6-12(11)16-13/h1-2,5-6H,3-4,7-10,14H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM79403 (3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...) Show SMILES NCCCNCCCCNCCCN Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475622 (CHEMBL438266) Show SMILES NCCCNCCCCNCCCNC1=Nc2ccccc2CC1 |t:14| Show InChI InChI=1S/C19H33N5/c20-11-5-14-21-12-3-4-13-22-15-6-16-23-19-10-9-17-7-1-2-8-18(17)24-19/h1-2,7-8,21-22H,3-6,9-16,20H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475619 (CHEMBL446186) Show SMILES CN(C1c2ccccc2N=C(NCCCO)C1(C)C)c1ccccc1 |t:10| Show InChI InChI=1S/C21H27N3O/c1-21(2)19(24(3)16-10-5-4-6-11-16)17-12-7-8-13-18(17)23-20(21)22-14-9-15-25/h4-8,10-13,19,25H,9,14-15H2,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475611 (CHEMBL275659) Show SMILES [H][C@@]12N(C)c3ccccc3C(C)C[C@]1(C)C(NCCCO)=Nc1ccccc21 |r,c:22| Show InChI InChI=1S/C23H29N3O/c1-16-15-23(2)21(26(3)20-12-7-5-9-17(16)20)18-10-4-6-11-19(18)25-22(23)24-13-8-14-27/h4-7,9-12,16,21,27H,8,13-15H2,1-3H3,(H,24,25)/t16?,21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50475609 (CHEMBL201076) Show SMILES OCCCNC1=Nc2ccccc2CC1 |t:5| Show InChI InChI=1S/C12H16N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-5,15H,3,6-9H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50009385 (1,4-butylenediamine | 1,4-tetramethylenediamine | ...) Show SMILES NCCCCN Show InChI InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase				J Med Chem 49: 232-45 (2006) Article DOI: 10.1021/jm050018q BindingDB Entry DOI: 10.7270/Q21Z4757
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50216729 (CHEMBL422519) Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)Nc1ccccc1 Show InChI InChI=1S/C17H31N5O/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-17(23)22-16-8-2-1-3-9-16/h1-3,8-9,19-20H,4-7,10-15,18H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Rennes Curated by ChEMBL					Assay Description Inhibition of calmodulin dependent phosphodiesterase				Bioorg Med Chem Lett 8: 635-40 (1998) BindingDB Entry DOI: 10.7270/Q2NV9MFT
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50159149 (CHEMBL179042 | Peptidyl boronic acid derivative) Show SMILES CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O |w:28.30| Show InChI InChI=1S/C28H33BN4O5/c1-22(2)18-33(31-28(35)38-21-24-12-7-4-8-13-24)27(34)20-32(19-23-10-5-3-6-11-23)30-17-25-14-9-15-26(16-25)29(36)37/h3-17,22,36-37H,18-21H2,1-2H3,(H,31,35)	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+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Rennes 1 Curated by ChEMBL					Assay Description In vitro inhibitory activity against Factor Xa				J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50159158 (CHEMBL433563 | Peptidyl boronic acid derivative) Show SMILES CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)N=Cc1ccccc1B(O)O |w:25.26| Show InChI InChI=1S/C25H35BN4O5/c1-19(2)15-29(27-14-22-12-8-9-13-23(22)26(33)34)17-24(31)30(16-20(3)4)28-25(32)35-18-21-10-6-5-7-11-21/h5-14,19-20,33-34H,15-18H2,1-4H3,(H,28,32)	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+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Rennes 1 Curated by ChEMBL					Assay Description In vitro inhibitory activity against Factor Xa				J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50159149 (CHEMBL179042 | Peptidyl boronic acid derivative) Show SMILES CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O |w:28.30| Show InChI InChI=1S/C28H33BN4O5/c1-22(2)18-33(31-28(35)38-21-24-12-7-4-8-13-24)27(34)20-32(19-23-10-5-3-6-11-23)30-17-25-14-9-15-26(16-25)29(36)37/h3-17,22,36-37H,18-21H2,1-2H3,(H,31,35)	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+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Rennes 1 Curated by ChEMBL					Assay Description Inhibitory concentration against Calpain I activity				J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50159158 (CHEMBL433563 | Peptidyl boronic acid derivative) Show SMILES CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)N=Cc1ccccc1B(O)O |w:25.26| Show InChI InChI=1S/C25H35BN4O5/c1-19(2)15-29(27-14-22-12-8-9-13-23(22)26(33)34)17-24(31)30(16-20(3)4)28-25(32)35-18-21-10-6-5-7-11-21/h5-14,19-20,33-34H,15-18H2,1-4H3,(H,28,32)	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+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Rennes 1 Curated by ChEMBL					Assay Description Inhibitory concentration against Calpain I activity				J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B (Bos taurus-BOVINE)	BDBM50216730 (CHEMBL156809) Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNc1ccccc1 Show InChI InChI=1S/C16H30N4/c17-10-6-13-18-11-4-5-12-19-14-7-15-20-16-8-2-1-3-9-16/h1-3,8-9,18-20H,4-7,10-15,17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Rennes Curated by ChEMBL					Assay Description Inhibition of calmodulin dependent phosphodiesterase				Bioorg Med Chem Lett 8: 635-40 (1998) BindingDB Entry DOI: 10.7270/Q2NV9MFT
					More data for this Ligand-Target Pair