Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'alexander' and Initial = 'rp'   

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 (Homo sapiens (Human))	BDBM50113399 (4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccc(N)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-16,18,23-24H,5-6,9-10,17,27H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113373 (2-Cyclopentyloxy-4-(1,2-diphenyl-ethyl)-1-methoxy-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H28O2/c1-27-25-17-16-22(19-26(25)28-23-14-8-9-15-23)24(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-7,10-13,16-17,19,23-24H,8-9,14-15,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113366 (4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(CC1CCNCC1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-12,18-19,22-23,26H,5-6,9-10,13-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111261 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O5/c1-3-28(2)18-17(19(29)20(18)30)27-15(22(32)33)8-11-4-6-12(7-5-11)26-21(31)16-13(23)9-25-10-14(16)24/h4-7,9-10,15,27H,3,8H2,1-2H3,(H,26,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111241 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-8-29(2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-4-6-13(7-5-12)27-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,28H,3,8-9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111240 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCSCC2)c(=O)c1=O Show InChI InChI=1S/C23H20Cl2N4O5S/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113362 (1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...) Show SMILES CCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C28H33N3O3/c1-3-30-28(32)31-23-8-6-7-21(18-23)25(17-20-13-15-29-16-14-20)22-11-12-26(33-2)27(19-22)34-24-9-4-5-10-24/h6-8,11-16,18-19,24-25H,3-5,9-10,17H2,1-2H3,(H2,30,31,32)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111230 ((S)-2-(2-Butylamino-3,4-dioxo-cyclobut-1-enylamino...) Show SMILES CCCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-2-3-8-27-18-19(21(31)20(18)30)29-16(23(33)34)9-12-4-6-13(7-5-12)28-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,27,29H,2-3,8-9H2,1H3,(H,28,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111253 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C23H21Cl2N5O5/c24-14-10-27-11-15(25)17(14)22(33)28-13-3-1-12(2-4-13)9-16(23(34)35)29-18-19(21(32)20(18)31)30-7-5-26-6-8-30/h1-4,10-11,16,26,29H,5-9H2,(H,28,33)(H,34,35)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111251 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-29(4-2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-5-7-13(8-6-12)27-22(32)17-14(24)10-26-11-15(17)25/h5-8,10-11,16,28H,3-4,9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111238 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCCCC2)c(=O)c1=O Show InChI InChI=1S/C24H22Cl2N4O5/c25-15-11-27-12-16(26)18(15)23(33)28-14-6-4-13(5-7-14)10-17(24(34)35)29-19-20(22(32)21(19)31)30-8-2-1-3-9-30/h4-7,11-12,17,29H,1-3,8-10H2,(H,28,33)(H,34,35)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111248 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCN1CCN(CC1)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C25H25Cl2N5O5/c1-2-31-7-9-32(10-8-31)21-20(22(33)23(21)34)30-18(25(36)37)11-14-3-5-15(6-4-14)29-24(35)19-16(26)12-28-13-17(19)27/h3-6,12-13,18,30H,2,7-11H2,1H3,(H,29,35)(H,36,37)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111229 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CC(C)CNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-11(2)8-27-18-19(21(31)20(18)30)29-16(23(33)34)7-12-3-5-13(6-4-12)28-22(32)17-14(24)9-26-10-15(17)25/h3-6,9-11,16,27,29H,7-8H2,1-2H3,(H,28,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111259 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCOCC2)c(=O)c1=O Show InChI InChI=1S/C23H20Cl2N4O6/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111258 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C21H18Cl2N4O5/c1-27(2)17-16(18(28)19(17)29)26-14(21(31)32)7-10-3-5-11(6-4-10)25-20(30)15-12(22)8-24-9-13(15)23/h3-6,8-9,14,26H,7H2,1-2H3,(H,25,30)(H,31,32)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111256 ((S)-2-(2-sec-Butylamino-3,4-dioxo-cyclobut-1-enyla...) Show SMILES CCC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-11(2)27-18-19(21(31)20(18)30)29-16(23(33)34)8-12-4-6-13(7-5-12)28-22(32)17-14(24)9-26-10-15(17)25/h4-7,9-11,16,27,29H,3,8H2,1-2H3,(H,28,32)(H,33,34)/t11?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111244 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCCC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C24H24Cl2N4O5/c1-3-4-12(2)28-19-20(22(32)21(19)31)30-17(24(34)35)9-13-5-7-14(8-6-13)29-23(33)18-15(25)10-27-11-16(18)26/h5-8,10-12,17,28,30H,3-4,9H2,1-2H3,(H,29,33)(H,34,35)/t12?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111249 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C21H18Cl2N4O5/c1-2-25-16-17(19(29)18(16)28)27-14(21(31)32)7-10-3-5-11(6-4-10)26-20(30)15-12(22)8-24-9-13(15)23/h3-6,8-9,14,25,27H,2,7H2,1H3,(H,26,30)(H,31,32)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111260 ((S)-2-(2-Diethylamino-3,4-dioxo-cyclobut-1-enylami...) Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(cc2)-c2c(OC)cccc2OC)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C25H28N2O6/c1-5-27(6-2)22-21(23(28)24(22)29)26-17(25(30)31)14-15-10-12-16(13-11-15)20-18(32-3)8-7-9-19(20)33-4/h7-13,17,26H,5-6,14H2,1-4H3,(H,30,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113380 (4-{(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-[4-...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(cc1)N1CCCS1(=O)=O Show InChI InChI=1S/C28H32N2O4S/c1-33-27-12-9-23(20-28(27)34-25-5-2-3-6-25)26(19-21-13-15-29-16-14-21)22-7-10-24(11-8-22)30-17-4-18-35(30,31)32/h7-16,20,25-26H,2-6,17-19H2,1H3/t26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111225 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C20H16Cl2N4O5/c1-23-15-16(18(28)17(15)27)26-13(20(30)31)6-9-2-4-10(5-3-9)25-19(29)14-11(21)7-24-8-12(14)22/h2-5,7-8,13,23,26H,6H2,1H3,(H,25,29)(H,30,31)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111252 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCCCC(F)(F)F)c(=O)c1=O Show InChI InChI=1S/C23H19Cl2F3N4O5/c24-13-9-29-10-14(25)16(13)21(35)31-12-4-2-11(3-5-12)8-15(22(36)37)32-18-17(19(33)20(18)34)30-7-1-6-23(26,27)28/h2-5,9-10,15,30,32H,1,6-8H2,(H,31,35)(H,36,37)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111250 (2-(2-Allylamino-3,4-dioxo-cyclobut-1-enylamino)-3-...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCC=C)c(=O)c1=O Show InChI InChI=1S/C22H18Cl2N4O5/c1-2-7-26-17-18(20(30)19(17)29)28-15(22(32)33)8-11-3-5-12(6-4-11)27-21(31)16-13(23)9-25-10-14(16)24/h2-6,9-10,15,26,28H,1,7-8H2,(H,27,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111236 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O5/c1-10(2)26-17-18(20(30)19(17)29)28-15(22(32)33)7-11-3-5-12(6-4-11)27-21(31)16-13(23)8-25-9-14(16)24/h3-6,8-10,15,26,28H,7H2,1-2H3,(H,27,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111232 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCCCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C24H24Cl2N4O5/c1-2-3-4-9-28-19-20(22(32)21(19)31)30-17(24(34)35)10-13-5-7-14(8-6-13)29-23(33)18-15(25)11-27-12-16(18)26/h5-8,11-12,17,28,30H,2-4,9-10H2,1H3,(H,29,33)(H,34,35)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111226 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES COCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O6/c1-34-7-6-26-17-18(20(30)19(17)29)28-15(22(32)33)8-11-2-4-12(5-3-11)27-21(31)16-13(23)9-25-10-14(16)24/h2-5,9-10,15,26,28H,6-8H2,1H3,(H,27,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111242 ((S)-2-(2-Diethylamino-3,4-dioxo-cyclobut-1-enylami...) Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(cc2)-c2ccccc2OC)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C24H26N2O5/c1-4-26(5-2)21-20(22(27)23(21)28)25-18(24(29)30)14-15-10-12-16(13-11-15)17-8-6-7-9-19(17)31-3/h6-13,18,25H,4-5,14H2,1-3H3,(H,29,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111243 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O5/c1-2-7-26-17-18(20(30)19(17)29)28-15(22(32)33)8-11-3-5-12(6-4-11)27-21(31)16-13(23)9-25-10-14(16)24/h3-6,9-10,15,26,28H,2,7-8H2,1H3,(H,27,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111228 ((S)-2-(2-Diethylamino-3,4-dioxo-cyclobut-1-enylami...) Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(Oc3ncccn3)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C21H22N4O5/c1-3-25(4-2)17-16(18(26)19(17)27)24-15(20(28)29)12-13-6-8-14(9-7-13)30-21-22-10-5-11-23-21/h5-11,15,24H,3-4,12H2,1-2H3,(H,28,29)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111254 ((S)-2-(2-Cyclopropylamino-3,4-dioxo-cyclobut-1-eny...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NC2CC2)c(=O)c1=O Show InChI InChI=1S/C22H18Cl2N4O5/c23-13-8-25-9-14(24)16(13)21(31)27-12-3-1-10(2-4-12)7-15(22(32)33)28-18-17(19(29)20(18)30)26-11-5-6-11/h1-4,8-9,11,15,26,28H,5-7H2,(H,27,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111246 ((S)-2-(2-Dibutylamino-3,4-dioxo-cyclobut-1-enylami...) Show SMILES CCCCN(CCCC)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C27H30Cl2N4O5/c1-3-5-11-33(12-6-4-2)23-22(24(34)25(23)35)32-20(27(37)38)13-16-7-9-17(10-8-16)31-26(36)21-18(28)14-30-15-19(21)29/h7-10,14-15,20,32H,3-6,11-13H2,1-2H3,(H,31,36)(H,37,38)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111227 ((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-(3,4-dioxo...) Show SMILES CCCNc1c(N[C@@H](Cc2ccc(cc2)-c2c(OC)cccc2OC)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C24H26N2O6/c1-4-12-25-20-21(23(28)22(20)27)26-16(24(29)30)13-14-8-10-15(11-9-14)19-17(31-2)6-5-7-18(19)32-3/h5-11,16,25-26H,4,12-13H2,1-3H3,(H,29,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113389 (CHEMBL285766 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C26H30N2O4S/c1-31-25-12-9-21(18-26(25)32-23-5-3-4-6-23)24(17-19-13-15-27-16-14-19)20-7-10-22(11-8-20)28-33(2,29)30/h7-16,18,23-24,28H,3-6,17H2,1-2H3/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111231 ((S)-2-(2-Cyclobutylamino-3,4-dioxo-cyclobut-1-enyl...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NC2CCC2)c(=O)c1=O Show InChI InChI=1S/C23H20Cl2N4O5/c24-14-9-26-10-15(25)17(14)22(32)28-13-6-4-11(5-7-13)8-16(23(33)34)29-19-18(20(30)21(19)31)27-12-2-1-3-12/h4-7,9-10,12,16,27,29H,1-3,8H2,(H,28,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113372 (4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-thi...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccsc1 Show InChI InChI=1S/C23H25NO2S/c1-25-22-7-6-18(15-23(22)26-20-4-2-3-5-20)21(19-10-13-27-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111240 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCSCC2)c(=O)c1=O Show InChI InChI=1S/C23H20Cl2N4O5S/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111247 ((S)-2-(2-tert-Butylamino-3,4-dioxo-cyclobut-1-enyl...) Show SMILES CC(C)(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-23(2,3)29-18-17(19(30)20(18)31)28-15(22(33)34)8-11-4-6-12(7-5-11)27-21(32)16-13(24)9-26-10-14(16)25/h4-7,9-10,15,28-29H,8H2,1-3H3,(H,27,32)(H,33,34)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111251 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-29(4-2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-5-7-13(8-6-12)27-22(32)17-14(24)10-26-11-15(17)25/h5-8,10-11,16,28H,3-4,9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111257 ((S)-2-(2-Benzylamino-3,4-dioxo-cyclobut-1-enylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCc2ccccc2)c(=O)c1=O Show InChI InChI=1S/C26H20Cl2N4O5/c27-17-12-29-13-18(28)20(17)25(35)31-16-8-6-14(7-9-16)10-19(26(36)37)32-22-21(23(33)24(22)34)30-11-15-4-2-1-3-5-15/h1-9,12-13,19,30,32H,10-11H2,(H,31,35)(H,36,37)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50064858 ((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113377 (1-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...) Show SMILES CNC(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C27H31N3O3/c1-28-27(31)30-22-10-7-20(8-11-22)24(17-19-13-15-29-16-14-19)21-9-12-25(32-2)26(18-21)33-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3,(H2,28,30,31)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113363 (CHEMBL286921 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...) Show SMILES CCCC(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C29H34N2O3/c1-3-6-29(32)31-24-12-9-22(10-13-24)26(19-21-15-17-30-18-16-21)23-11-14-27(33-2)28(20-23)34-25-7-4-5-8-25/h9-18,20,25-26H,3-8,19H2,1-2H3,(H,31,32)/t26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113390 (CHEMBL286118 | Pyrrolidine-1-carboxylic acid {3-[(...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(=O)N2CCCC2)c1 Show InChI InChI=1S/C30H35N3O3/c1-35-28-12-11-24(21-29(28)36-26-9-2-3-10-26)27(19-22-13-15-31-16-14-22)23-7-6-8-25(20-23)32-30(34)33-17-4-5-18-33/h6-8,11-16,20-21,26-27H,2-5,9-10,17-19H2,1H3,(H,32,34)/t27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113378 (4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-fur...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccoc1 Show InChI InChI=1S/C23H25NO3/c1-25-22-7-6-18(15-23(22)27-20-4-2-3-5-20)21(19-10-13-26-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113381 (4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyr...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(O)cc1 Show InChI InChI=1S/C25H27NO3/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-26-15-13-18)19-6-9-21(27)10-7-19/h6-15,17,22-23,27H,2-5,16H2,1H3/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111246 ((S)-2-(2-Dibutylamino-3,4-dioxo-cyclobut-1-enylami...) Show SMILES CCCCN(CCCC)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C27H30Cl2N4O5/c1-3-5-11-33(12-6-4-2)23-22(24(34)25(23)35)32-20(27(37)38)13-16-7-9-17(10-8-16)31-26(36)21-18(28)14-30-15-19(21)29/h7-10,14-15,20,32H,3-6,11-13H2,1-2H3,(H,31,36)(H,37,38)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111245 ((S)-2-(3,4-Dioxo-2-propylamino-cyclobut-1-enylamin...) Show SMILES CCCNc1c(N[C@@H](Cc2ccc(cc2)-c2ccccc2OC)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H24N2O5/c1-3-12-24-19-20(22(27)21(19)26)25-17(23(28)29)13-14-8-10-15(11-9-14)16-6-4-5-7-18(16)30-2/h4-11,17,24-25H,3,12-13H2,1-2H3,(H,28,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111255 ((S)-2-(3,4-Dioxo-2-propylamino-cyclobut-1-enylamin...) Show SMILES CCCNc1c(N[C@@H](Cc2ccc(Oc3ncccn3)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C20H20N4O5/c1-2-8-21-15-16(18(26)17(15)25)24-14(19(27)28)11-12-4-6-13(7-5-12)29-20-22-9-3-10-23-20/h3-7,9-10,14,21,24H,2,8,11H2,1H3,(H,27,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113386 (CHEMBL35011 | Propane-2-sulfonic acid {4-[(R)-1-(3...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)C(C)C)cc1 Show InChI InChI=1S/C28H34N2O4S/c1-20(2)35(31,32)30-24-11-8-22(9-12-24)26(18-21-14-16-29-17-15-21)23-10-13-27(33-3)28(19-23)34-25-6-4-5-7-25/h8-17,19-20,25-26,30H,4-7,18H2,1-3H3/t26-/m1/s1	PDB MMDB 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
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50113387 (4-[(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1cc[n+]([O-])cc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-28-24-12-11-21(18-25(24)29-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26(27)16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1	PDB MMDB 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
Celltech R&D Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant phosphodiesterase 4A				Bioorg Med Chem Lett 12: 1451-6 (2002) BindingDB Entry DOI: 10.7270/Q22J6B5D
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 118 total )  |  Next  |  Last  >>

Jump to: