Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'tuffnell' and Initial = 'ar'   

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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	698	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166737 (3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166743 (3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1 Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166741 (4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...) Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50108504 (4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 58: 6747-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50108504 (4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...) Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of Coll-3 MMP-13				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50081851 ((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HNC MMP-8				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HNC MMP-8				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081851 ((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50081866 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HNC MMP-8				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50113973 (CHEMBL3605513) Show SMILES N#Cc1cccc(c1)-c1nc(cc2cccnc12)N1CCOCC1 Show InChI InChI=1S/C19H16N4O/c20-13-14-3-1-4-15(11-14)19-18-16(5-2-6-21-18)12-17(22-19)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2	PDB 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D				J Med Chem 58: 6747-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50081869 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C24H37N3O6S/c1-26(34(31,32)20-12-10-19(33-2)11-13-20)17-22(23(28)25-30)21(16-18-8-4-5-9-18)24(29)27-14-6-3-7-15-27/h10-13,18,21-22,30H,3-9,14-17H2,1-2H3,(H,25,28)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HNC MMP-8				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50081852 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...) Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C27H37N3O5S/c1-29(36(34,35)25-15-9-13-21-12-5-6-14-22(21)25)19-24(26(31)28-33)23(18-20-10-3-4-11-20)27(32)30-16-7-2-8-17-30/h5-6,9,12-15,20,23-24,33H,2-4,7-8,10-11,16-19H2,1H3,(H,28,31)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HNC MMP-8				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50081859 ((2R,3R)-2-((4-chloro-N-methylphenylsulfonamido)met...) Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H34ClN3O5S/c1-26(33(31,32)19-11-9-18(24)10-12-19)16-21(22(28)25-30)20(15-17-7-3-4-8-17)23(29)27-13-5-2-6-14-27/h9-12,17,20-21,30H,2-8,13-16H2,1H3,(H,25,28)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HNC MMP-8				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081871 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...) Show SMILES CC(C)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C20H37N3O5S/c1-15(2)29(27,28)22(3)14-18(19(24)21-26)17(13-16-9-5-6-10-16)20(25)23-11-7-4-8-12-23/h15-18,26H,4-14H2,1-3H3,(H,21,24)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081860 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...) Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C17H31N3O6S/c1-19(27(2,24)25)12-15(16(21)18-23)14(11-13-5-3-4-6-13)17(22)20-7-9-26-10-8-20/h13-15,23H,3-12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081864 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...) Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H33N3O5S/c1-20(27(2,25)26)13-16(17(22)19-24)15(12-14-8-4-5-9-14)18(23)21-10-6-3-7-11-21/h14-16,24H,3-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of Gel-A MMP-2				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081865 ((2R,3R)-2-((1-(dimethylamino)-N-methylnaphthalene-...) Show SMILES CC(C)C[C@H]([C@H](CN(C)S(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)NO)C(=O)N1CCCCC1 Show InChI InChI=1S/C27H40N4O5S/c1-19(2)17-22(27(33)31-15-7-6-8-16-31)23(26(32)28-34)18-30(5)37(35,36)25-14-10-11-20-21(25)12-9-13-24(20)29(3)4/h9-14,19,22-23,34H,6-8,15-18H2,1-5H3,(H,28,32)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081872 ((2R,3R)-3-(cyclopentylmethyl)-2-{[(dimethylsulfamo...) Show SMILES CN(C)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C19H36N4O5S/c1-21(2)29(27,28)22(3)14-17(18(24)20-26)16(13-15-9-5-6-10-15)19(25)23-11-7-4-8-12-23/h15-17,26H,4-14H2,1-3H3,(H,20,24)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50396765 (CHEMBL2172376) Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)| Show InChI InChI=1S/C22H22N2O2S/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)/t14-,15-	PDB 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081852 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...) Show SMILES CN(C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C27H37N3O5S/c1-29(36(34,35)25-15-9-13-21-12-5-6-14-22(21)25)19-24(26(31)28-33)23(18-20-10-3-4-11-20)27(32)30-16-7-2-8-17-30/h5-6,9,12-15,20,23-24,33H,2-4,7-8,10-11,16-19H2,1H3,(H,28,31)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50081867 ((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((N-meth...) Show SMILES CCS(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C19H35N3O5S/c1-3-28(26,27)21(2)14-17(18(23)20-25)16(13-15-9-5-6-10-15)19(24)22-11-7-4-8-12-22/h15-17,25H,3-14H2,1-2H3,(H,20,23)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of HFC MMP-1				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50081851 ((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of Strom-1 MMP-3				Bioorg Med Chem Lett 9: 2887-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FGN
					More data for this Ligand-Target Pair

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