Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'buckley' and Initial = 'gm'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50218255 (CHEMBL290100) Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells				Bioorg Med Chem Lett 12: 1613-5 (2002) BindingDB Entry DOI: 10.7270/Q2D220S3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290670 (5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377170 (CHEMBL256570 | US11254667, Compound I-2 | US115422...) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,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	1	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377180 (CHEMBL401633) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13| Show InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377165 (CHEMBL255867) Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1 Show InChI InChI=1S/C20H21N7/c1-2-17(25-19(3-1)24-15-6-9-21-10-7-15)18-12-22-20-5-4-14(13-27(18)20)16-8-11-23-26-16/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,23,26)(H,24,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377175 (CHEMBL436653) Show SMILES Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1 Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-14-15(10-12)23(11-20-14)17-3-1-2-16(22-17)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,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	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290675 (5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50271563 (CHEMBL482708 | N-cyclohexyl-4-(H-imidazo[1,2-a]pyr...) Show SMILES CN(C1CCCCC1)c1nccc(n1)-c1cnc2ccccn12 Show InChI InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of JNK3 (unknown origin)				Bioorg Med Chem Lett 18: 3291-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.039 BindingDB Entry DOI: 10.7270/Q2NZ87FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290671 ((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50219014 (CHEMBL149559) Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R& D Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 4 from U937 cells				Bioorg Med Chem Lett 12: 509-12 (2002) BindingDB Entry DOI: 10.7270/Q2T43W9C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377168 (CHEMBL255873) Show SMILES N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C18H18N6/c19-10-13-4-5-18-21-11-16(24(18)12-13)15-2-1-3-17(23-15)22-14-6-8-20-9-7-14/h1-5,11-12,14,20H,6-9H2,(H,22,23)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290671 ((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377163 (CHEMBL403358) Show SMILES NC(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C18H20N6O/c19-18(25)12-4-5-17-21-10-15(24(17)11-12)14-2-1-3-16(23-14)22-13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9H2,(H2,19,25)(H,22,23)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377181 (CHEMBL256963 | US11254667, Compound I-15 | US11542...) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1 Show InChI InChI=1S/C15H14ClN5/c16-10-4-5-15-18-8-13(21(15)9-10)12-2-1-3-14(20-12)19-11-6-17-7-11/h1-5,8-9,11,17H,6-7H2,(H,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	6	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290668 (2-Mercapto-5-methanesulfonylamino-pentanoic acid [...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377169 (CHEMBL402629) Show SMILES COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-18-20-11-16(23(18)12-14)15-3-2-4-17(22-15)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,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	6	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377166 (CHEMBL255446) Show SMILES Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C21H23N7/c1-27-13-16(11-24-27)15-5-6-21-23-12-19(28(21)14-15)18-3-2-4-20(26-18)25-17-7-9-22-10-8-17/h2-6,11-14,17,22H,7-10H2,1H3,(H,25,26)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377186 (CHEMBL403433) Show SMILES COc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1 Show InChI InChI=1S/C16H17N5O/c1-22-12-5-6-16-18-9-14(21(16)10-12)13-3-2-4-15(20-13)19-11-7-17-8-11/h2-6,9-11,17H,7-8H2,1H3,(H,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	7	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377167 (CHEMBL402361) Show SMILES COc1ccc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Show InChI InChI=1S/C23H24N6O/c1-30-23-8-6-16(13-26-23)17-5-7-22-25-14-20(29(22)15-17)19-3-2-4-21(28-19)27-18-9-11-24-12-10-18/h2-8,13-15,18,24H,9-12H2,1H3,(H,27,28)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290671 ((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377179 (CHEMBL256961) Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13| Show InChI InChI=1S/C17H18ClN5/c18-12-6-7-17-20-10-15(23(17)11-12)14-4-1-5-16(22-14)21-13-3-2-8-19-9-13/h1,4-7,10-11,13,19H,2-3,8-9H2,(H,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	9	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290671 ((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377172 (CHEMBL404473) Show SMILES Cc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1 Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-16(11-13)23(12-20-15)18-4-2-3-17(22-18)21-14-7-9-19-10-8-14/h2-6,11-12,14,19H,7-10H2,1H3,(H,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	10	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50160371 (7-Methoxy-6-oxazol-5-yl-3-(2-pyridin-4-yl-ethyl)-2...) Show SMILES COc1cc2[nH]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C19H16N4O3S/c1-25-16-9-15-13(8-14(16)17-10-21-11-26-17)18(24)23(19(27)22-15)7-4-12-2-5-20-6-3-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,27)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R and D Curated by ChEMBL					Assay Description In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 15: 751-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.015 BindingDB Entry DOI: 10.7270/Q2RN37CZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50219013 (CHEMBL343205) Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H13Cl2N3O4/c1-3-8-4-9-10(5-19-16(24-2)14(9)25-8)15(22)20-13-11(17)6-21(23)7-12(13)18/h4-7H,3H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R& D Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 4 from U937 cells				Bioorg Med Chem Lett 12: 509-12 (2002) BindingDB Entry DOI: 10.7270/Q2T43W9C
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290670 (5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377178 (CHEMBL402174) Show SMILES COc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1 Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-15-16(11-14)23(12-20-15)18-4-2-3-17(22-18)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,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	15	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290667 (5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290669 ((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50160379 (7-Methoxy-3-methyl-6-oxazol-5-yl-2-thioxo-2,3-dihy...) Show SMILES COc1cc2[nH]c(=S)n(C)c(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C13H11N3O3S/c1-16-12(17)7-3-8(11-5-14-6-19-11)10(18-2)4-9(7)15-13(16)20/h3-6H,1-2H3,(H,15,20)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R and D Curated by ChEMBL					Assay Description In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 15: 751-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.015 BindingDB Entry DOI: 10.7270/Q2RN37CZ
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290668 (2-Mercapto-5-methanesulfonylamino-pentanoic acid [...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50377150 (CHEMBL256504) Show SMILES C1CNC[C@H](C1)Nc1cccc(n1)-c1cnc2ccccn12 Show InChI InChI=1S/C17H19N5/c1-2-10-22-15(12-19-17(22)8-1)14-6-3-7-16(21-14)20-13-5-4-9-18-11-13/h1-3,6-8,10,12-13,18H,4-5,9,11H2,(H,20,21)/t13-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3656-60 (2008) Article DOI: 10.1016/j.bmcl.2008.04.042 BindingDB Entry DOI: 10.7270/Q2JH3N2N
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Inhibition of rolipram binding in rat brain				Bioorg Med Chem Lett 12: 1613-5 (2002) BindingDB Entry DOI: 10.7270/Q2D220S3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50219815 (CHEMBL43570) Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C15H9Cl2F3N4O2/c1-26-9-3-2-6(10-12(9)24-14(23-10)15(18,19)20)13(25)22-11-7(16)4-21-5-8(11)17/h2-5H,1H3,(H,23,24)(H,21,22,25)	PDB UniProtKB/SwissProt 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
Celltech R&D Curated by ChEMBL					Assay Description Inhibition of rolipram binding in rat brain				Bioorg Med Chem Lett 12: 1613-5 (2002) BindingDB Entry DOI: 10.7270/Q2D220S3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50373415 (CHEMBL256713) Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 18: 3211-4 (2008) Article DOI: 10.1016/j.bmcl.2008.04.058 BindingDB Entry DOI: 10.7270/Q28C9X3T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290678 ((S)-2-(2-Mercapto-3-phenyl-propionylamino)-4-methy...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)Cc1ccccc1 Show InChI InChI=1S/C25H33N3O3S/c1-17(2)14-20(28-25(31)22(32)16-19-12-8-5-9-13-19)24(30)27-21(23(29)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50218255 (CHEMBL290100) Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Curated by ChEMBL					Assay Description Inhibition of rolipram binding in rat brain				Bioorg Med Chem Lett 12: 1613-5 (2002) BindingDB Entry DOI: 10.7270/Q2D220S3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R& D Curated by ChEMBL					Assay Description Inhibition of rolipram binding to rat brain				Bioorg Med Chem Lett 12: 509-12 (2002) BindingDB Entry DOI: 10.7270/Q2T43W9C
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chiroscience Ltd Curated by ChEMBL					Assay Description Relative inhibition of phosphodiesterase 4 activity and Rolipram binding to PDE4				Bioorg Med Chem Lett 8: 2635-40 (1999) BindingDB Entry DOI: 10.7270/Q2MP52FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50160378 (3-(3-Imidazol-1-yl-propyl)-7-methoxy-6-oxazol-5-yl...) Show SMILES COc1cc2[nH]c(=S)n(CCCn3ccnc3)c(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C18H17N5O3S/c1-25-15-8-14-12(7-13(15)16-9-20-11-26-16)17(24)23(18(27)21-14)5-2-4-22-6-3-19-10-22/h3,6-11H,2,4-5H2,1H3,(H,21,27)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R and D Curated by ChEMBL					Assay Description In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 15: 751-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.015 BindingDB Entry DOI: 10.7270/Q2RN37CZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50219018 (CHEMBL148584) Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOC1 Show InChI InChI=1S/C18H15Cl2N3O5/c1-26-18-16-10(4-14(28-16)9-2-3-27-8-9)11(5-21-18)17(24)22-15-12(19)6-23(25)7-13(15)20/h4-7,9H,2-3,8H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R& D Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 4 from U937 cells				Bioorg Med Chem Lett 12: 509-12 (2002) BindingDB Entry DOI: 10.7270/Q2T43W9C
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290675 (5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50219014 (CHEMBL149559) Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R& D Curated by ChEMBL					Assay Description Inhibition of rolipram binding to rat brain				Bioorg Med Chem Lett 12: 509-12 (2002) BindingDB Entry DOI: 10.7270/Q2T43W9C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290673 (6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C30H38N4O5S/c1-19(2)17-23(27(36)32-24(26(35)31-3)18-20-11-5-4-6-12-20)33-28(37)25(40)15-9-10-16-34-29(38)21-13-7-8-14-22(21)30(34)39/h4-8,11-14,19,23-25,40H,9-10,15-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)/t23-,24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290677 ((S)-2-(2-Mercapto-3-methyl-butyrylamino)-4-methyl-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)C(C)C Show InChI InChI=1S/C21H33N3O3S/c1-13(2)11-16(24-21(27)18(28)14(3)4)20(26)23-17(19(25)22-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290674 ((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50160375 (7-Methoxy-6-oxazol-5-yl-2-thioxo-2,3-dihydro-1H-qu...) Show SMILES COc1cc2[nH]c(=S)[nH]c(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C12H9N3O3S/c1-17-9-3-8-6(11(16)15-12(19)14-8)2-7(9)10-4-13-5-18-10/h2-5H,1H3,(H2,14,15,16,19)	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
Celltech R and D Curated by ChEMBL					Assay Description In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 15: 751-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.015 BindingDB Entry DOI: 10.7270/Q2RN37CZ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290674 ((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290669 ((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290667 (5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair

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