Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'ducrot' and Initial = 'p'   

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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151638 (8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...) Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151635 (8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...) Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151644 (CHEMBL359890 | ethyl 5-[8''-chloro-2''-oxospiro[cy...) Show SMILES CCOC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1 Show InChI InChI=1S/C21H23ClN2O5/c1-2-27-19(25)16-8-6-13(29-16)12-28-15-9-7-14(22)18-17(15)21(24-20(26)23-18)10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H2,23,24,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151649 (8''-chloro-5''-hydroxyspiro[cyclohexane-1,4''-(1''...) Show SMILES Oc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C13H15ClN2O2/c14-8-4-5-9(17)10-11(8)15-12(18)16-13(10)6-2-1-3-7-13/h4-5,17H,1-3,6-7H2,(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151640 (8''-chloro-5''-methoxyspiro[cyclohexane-1,4''-(1''...) Show SMILES COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C14H17ClN2O2/c1-19-10-6-5-9(15)12-11(10)14(17-13(18)16-12)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151609 (5'',8''-dichlorospiro[cyclohexane-1,4''-(1'',2'',3...) Show SMILES Clc1ccc(Cl)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C13H14Cl2N2O/c14-8-4-5-9(15)11-10(8)13(17-12(18)16-11)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151634 (5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1 Show InChI InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151636 (3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170205 ((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...) Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151631 (2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES Clc1ccc(OCC#N)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C15H16ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-7,9H2,(H2,18,19,20)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50093407 ((R)2-{6-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-9-is...) Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C21H28N6O3/c1-12(2)15(9-28)24-21-25-19(18-20(26-21)27(10-23-18)13(3)4)22-8-14-5-6-16-17(7-14)30-11-29-16/h5-7,10,12-13,15,28H,8-9,11H2,1-4H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151645 (8''-chloro-5''-[2-(1,4-oxazinan-4-yl)ethoxy]spiro[...) Show SMILES Clc1ccc(OCCN2CCOCC2)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C19H26ClN3O3/c20-14-4-5-15(26-13-10-23-8-11-25-12-9-23)16-17(14)21-18(24)22-19(16)6-2-1-3-7-19/h4-5H,1-3,6-13H2,(H2,21,22,24)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151641 (2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OC(=O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C15H17ClN2O4/c16-9-4-5-10(22-8-11(19)20)12-13(9)17-14(21)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,19,20)(H2,17,18,21)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151630 (2-{2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1...) Show SMILES OC(=O)CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C17H22ClN3O4/c18-11-4-5-12(25-9-8-19-10-13(22)23)14-15(11)20-16(24)21-17(14)6-2-1-3-7-17/h4-5,19H,1-3,6-10H2,(H,22,23)(H2,20,21,24)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151647 (8''-chloro-5''-(2-hydroxyethoxy)spiro[cyclohexane-...) Show SMILES OCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C15H19ClN2O3/c16-10-4-5-11(21-9-8-19)12-13(10)17-14(20)18-15(12)6-2-1-3-7-15/h4-5,19H,1-3,6-9H2,(H2,17,18,20)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170206 (4-(4'-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1csc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H26N2O3S/c1-18(28)19-2-4-20(5-3-19)21-6-8-22(9-7-21)23-16-24(31-17-23)25(29)26-10-11-27-12-14-30-15-13-27/h2-9,16-17H,10-15H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7584 (1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H22ClN5O/c1-5-20(4,27)10-9-16-24-18(23-15-8-6-7-14(21)11-15)17-19(25-16)26(12-22-17)13(2)3/h6-8,11-13,27H,5H2,1-4H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7584 (1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H22ClN5O/c1-5-20(4,27)10-9-16-24-18(23-15-8-6-7-14(21)11-15)17-19(25-16)26(12-22-17)13(2)3/h6-8,11-13,27H,5H2,1-4H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7576 (1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H24ClN5O/c1-5-21(4,28)11-10-17-25-19(23-12-15-6-8-16(22)9-7-15)18-20(26-17)27(13-24-18)14(2)3/h6-9,13-14,28H,5,12H2,1-4H3,(H,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7576 (1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H24ClN5O/c1-5-21(4,28)11-10-17-25-19(23-12-15-6-8-16(22)9-7-15)18-20(26-17)27(13-24-18)14(2)3/h6-9,13-14,28H,5,12H2,1-4H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170203 ((4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic ac...) Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO3S/c1-18-7-9-19(10-8-18)16-30-26(29)27-25(28)24-15-23(17-31-24)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170207 (CHEMBL180762 | [4-(2'-Hydroxy-biphenyl-4-yl)-thiop...) Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2O)cc1 Show InChI InChI=1S/C26H21NO4S/c1-17-6-8-18(9-7-17)15-31-26(30)27-25(29)24-14-21(16-32-24)19-10-12-20(13-11-19)22-4-2-3-5-23(22)28/h2-14,16,28H,15H2,1H3,(H,27,29,30)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170201 (4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...) Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170201 (4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...) Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151646 (8''-chloro-5''-methylspiro[cyclohexane-1,4''-(1'',...) Show SMILES Cc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C14H17ClN2O/c1-9-5-6-10(15)12-11(9)14(17-13(18)16-12)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H2,16,17,18)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151648 (8''-chloro-5''-(2-dimethylaminoethoxy)spiro[cycloh...) Show SMILES CN(C)CCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C17H24ClN3O2/c1-21(2)10-11-23-13-7-6-12(18)15-14(13)17(20-16(22)19-15)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3,(H2,19,20,22)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7579 (1-(6-{[4-(dimethylamino)benzyl]amino}-9-isopropyl-...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H30N6O/c1-7-23(4,30)13-12-19-26-21(20-22(27-19)29(15-25-20)16(2)3)24-14-17-8-10-18(11-9-17)28(5)6/h8-11,15-16,30H,7,14H2,1-6H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7579 (1-(6-{[4-(dimethylamino)benzyl]amino}-9-isopropyl-...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H30N6O/c1-7-23(4,30)13-12-19-26-21(20-22(27-19)29(15-25-20)16(2)3)24-14-17-8-10-18(11-9-17)28(5)6/h8-11,15-16,30H,7,14H2,1-6H3,(H,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM7533 ((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against cyclin-dependent kinase 5				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151628 (8''-chlorospiro[cyclohexane-1,4''-(1'',2'',3'',4''...) Show SMILES Clc1cccc2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C13H15ClN2O/c14-10-6-4-5-9-11(10)15-12(17)16-13(9)7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7553 (1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-y...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1 Show InChI InChI=1S/C23H27N5O/c1-17(2)28-16-25-20-21(24-15-18-9-5-3-6-10-18)26-19(27-22(20)28)11-14-23(29)12-7-4-8-13-23/h3,5-6,9-10,16-17,29H,4,7-8,12-13,15H2,1-2H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170211 ((R)-Phenyl-{[4-(4-trifluoromethoxy-phenyl)-thiophe...) Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 Show InChI InChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7574 (1-(6-{[(4-ethoxyphenyl)methyl]amino}-9-(propan-2-y...) Show SMILES CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C23H29N5O2/c1-6-23(5,29)13-12-19-26-21(20-22(27-19)28(15-25-20)16(3)4)24-14-17-8-10-18(11-9-17)30-7-2/h8-11,15-16,29H,6-7,14H2,1-5H3,(H,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7574 (1-(6-{[(4-ethoxyphenyl)methyl]amino}-9-(propan-2-y...) Show SMILES CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C23H29N5O2/c1-6-23(5,29)13-12-19-26-21(20-22(27-19)28(15-25-20)16(3)4)24-14-17-8-10-18(11-9-17)30-7-2/h8-11,15-16,29H,6-7,14H2,1-5H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7581 (1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7555 (1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7554 (5-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCO Show InChI InChI=1S/C20H23N5O/c1-15(2)25-14-22-18-19(21-13-16-9-5-3-6-10-16)23-17(24-20(18)25)11-7-4-8-12-26/h3,5-6,9-10,14-15,26H,4,8,12-13H2,1-2H3,(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7582 (1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...) Show SMILES CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(5,28)13-12-18-25-20(19-21(26-18)27(14-23-19)15(3)4)24-16-8-10-17(11-9-16)29-7-2/h8-11,14-15,28H,6-7H2,1-5H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7577 (1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-5-22(4,28)9-8-18-25-20(19-21(26-18)27(12-24-19)14(2)3)23-11-15-6-7-16-17(10-15)30-13-29-16/h6-7,10,12,14,28H,5,11,13H2,1-4H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7583 (1-{6-[(3,4-dichlorophenyl)amino]-9-(propan-2-yl)-9...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H21Cl2N5O/c1-5-20(4,28)9-8-16-25-18(24-13-6-7-14(21)15(22)10-13)17-19(26-16)27(11-23-17)12(2)3/h6-7,10-12,28H,5H2,1-4H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7583 (1-{6-[(3,4-dichlorophenyl)amino]-9-(propan-2-yl)-9...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H21Cl2N5O/c1-5-20(4,28)9-8-16-25-18(24-13-6-7-14(21)15(22)10-13)17-19(26-16)27(11-23-17)12(2)3/h6-7,10-12,28H,5H2,1-4H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7581 (1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7577 (1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-5-22(4,28)9-8-18-25-20(19-21(26-18)27(12-24-19)14(2)3)23-11-15-6-7-16-17(10-15)30-13-29-16/h6-7,10,12,14,28H,5,11,13H2,1-4H3,(H,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7555 (1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7582 (1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...) Show SMILES CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(5,28)13-12-18-25-20(19-21(26-18)27(14-23-19)15(3)4)24-16-8-10-17(11-9-16)29-7-2/h8-11,14-15,28H,6-7H2,1-5H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151633 (8''-chloro-5''-(2-hydroxy-3-methylaminopropoxy)spi...) Show SMILES CNCC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C17H24ClN3O3/c1-19-9-11(22)10-24-13-6-5-12(18)15-14(13)17(21-16(23)20-15)7-3-2-4-8-17/h5-6,11,19,22H,2-4,7-10H2,1H3,(H2,20,21,23)	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	210	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50093414 ((R){1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-pu...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-11-15-6-8-17(29-3)9-7-15)24-21(25-20(18)27)26-10-4-5-16(26)12-28/h6-9,13-14,16,28H,4-5,10-12H2,1-3H3,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 1				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7573 (1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(4,28)12-11-18-25-20(19-21(26-18)27(14-24-19)15(2)3)23-13-16-7-9-17(29-5)10-8-16/h7-10,14-15,28H,6,13H2,1-5H3,(H,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170202 (4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...) Show SMILES COc1ccc(cc1)-c1csc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-12 in pressence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7573 (1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-...) Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(4,28)12-11-18-25-20(19-21(26-18)27(14-24-19)15(2)3)23-13-16-7-9-17(29-5)10-8-16/h7-10,14-15,28H,6,13H2,1-5H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 1				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair

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