Found 179 hits Enz. Inhib. hit(s) with all data for entry = 50014354 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 |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141329
(2-Benzenesulfonylamino-3-{4-[3-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1)NS(=O)(=O)c1ccccc1 |t:18| Show InChI InChI=1S/C26H27N5O5S/c32-24(19-6-4-7-21(17-19)30-26-27-14-5-15-28-26)29-20-12-10-18(11-13-20)16-23(25(33)34)31-37(35,36)22-8-2-1-3-9-22/h1-4,6-13,17,23,31H,5,14-16H2,(H,29,32)(H,33,34)(H2,27,28,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141329
(2-Benzenesulfonylamino-3-{4-[3-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1)NS(=O)(=O)c1ccccc1 |t:18| Show InChI InChI=1S/C26H27N5O5S/c32-24(19-6-4-7-21(17-19)30-26-27-14-5-15-28-26)29-20-12-10-18(11-13-20)16-23(25(33)34)31-37(35,36)22-8-2-1-3-9-22/h1-4,6-13,17,23,31H,5,14-16H2,(H,29,32)(H,33,34)(H2,27,28,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141324
(2-Isopropoxycarbonylamino-3-{2-methoxy-4-[3-(1,4,5...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O |t:14| Show InChI InChI=1S/C25H31N5O6/c1-15(2)36-25(34)30-20(23(32)33)13-16-8-9-19(14-21(16)35-3)28-22(31)17-6-4-7-18(12-17)29-24-26-10-5-11-27-24/h4,6-9,12,14-15,20H,5,10-11,13H2,1-3H3,(H,28,31)(H,30,34)(H,32,33)(H2,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141309
(2-Benzenesulfonylamino-3-[4-(3-guanidino-benzoylam...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C23H23N5O5S/c24-23(25)27-18-6-4-5-16(14-18)21(29)26-17-11-9-15(10-12-17)13-20(22(30)31)28-34(32,33)19-7-2-1-3-8-19/h1-12,14,20,28H,13H2,(H,26,29)(H,30,31)(H4,24,25,27) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141325
(2-Benzenesulfonylamino-3-{4-[3-(4,5-dihydro-1H-imi...)Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCN3)c2)cc1)NS(=O)(=O)c1ccccc1 |t:18| Show InChI InChI=1S/C25H25N5O5S/c31-23(18-5-4-6-20(16-18)29-25-26-13-14-27-25)28-19-11-9-17(10-12-19)15-22(24(32)33)30-36(34,35)21-7-2-1-3-8-21/h1-12,16,22,30H,13-15H2,(H,28,31)(H,32,33)(H2,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141356
(3-{3-Chloro-4-[3-(4,5-dihydro-1H-imidazol-2-ylamin...)Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCN3)c2)c(Cl)c1 |w:3.2,t:18| Show InChI InChI=1S/C19H17ClN4O3/c20-15-10-12(5-7-17(25)26)4-6-16(15)24-18(27)13-2-1-3-14(11-13)23-19-21-8-9-22-19/h1-7,10-11H,8-9H2,(H,24,27)(H,25,26)(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141355
(3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...)Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O6/c1-12(2)33-22(31)27-17(20(29)30)10-13-7-8-16(11-18(13)32-3)25-19(28)14-5-4-6-15(9-14)26-21(23)24/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141324
(2-Isopropoxycarbonylamino-3-{2-methoxy-4-[3-(1,4,5...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O |t:14| Show InChI InChI=1S/C25H31N5O6/c1-15(2)36-25(34)30-20(23(32)33)13-16-8-9-19(14-21(16)35-3)28-22(31)17-6-4-7-18(12-17)29-24-26-10-5-11-27-24/h4,6-9,12,14-15,20H,5,10-11,13H2,1-3H3,(H,28,31)(H,30,34)(H,32,33)(H2,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141355
(3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...)Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O6/c1-12(2)33-22(31)27-17(20(29)30)10-13-7-8-16(11-18(13)32-3)25-19(28)14-5-4-6-15(9-14)26-21(23)24/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141324
(2-Isopropoxycarbonylamino-3-{2-methoxy-4-[3-(1,4,5...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O |t:14| Show InChI InChI=1S/C25H31N5O6/c1-15(2)36-25(34)30-20(23(32)33)13-16-8-9-19(14-21(16)35-3)28-22(31)17-6-4-7-18(12-17)29-24-26-10-5-11-27-24/h4,6-9,12,14-15,20H,5,10-11,13H2,1-3H3,(H,28,31)(H,30,34)(H,32,33)(H2,26,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141354
(CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141319
(2-(2-Carboxy-vinyl)-5-[3-(1,4,5,6-tetrahydro-pyrim...)Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1C(O)=O |w:3.2,t:18| Show InChI InChI=1S/C21H20N4O5/c26-18(27)8-6-13-5-7-16(12-17(13)20(29)30)24-19(28)14-3-1-4-15(11-14)25-21-22-9-2-10-23-21/h1,3-8,11-12H,2,9-10H2,(H,24,28)(H,26,27)(H,29,30)(H2,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141327
(3-{3-Methyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)Show SMILES Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 |w:5.5,t:22| Show InChI InChI=1S/C21H22N4O3/c1-14-12-15(7-9-19(26)27)6-8-18(14)25-20(28)16-4-2-5-17(13-16)24-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50141334
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141343
(3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)c(Cl)c1 |w:3.2,t:18| Show InChI InChI=1S/C20H19ClN4O3/c21-16-11-13(6-8-18(26)27)5-7-17(16)25-19(28)14-3-1-4-15(12-14)24-20-22-9-2-10-23-20/h1,3-8,11-12H,2,9-10H2,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141336
(3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...)Show SMILES CCc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCN2)c1 |w:6.6,t:23| Show InChI InChI=1S/C21H22N4O3/c1-2-15-12-14(7-9-19(26)27)6-8-18(15)25-20(28)16-4-3-5-17(13-16)24-21-22-10-11-23-21/h3-9,12-13H,2,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141333
(2-tert-Butoxycarbonylamino-3-[4-(3-guanidino-benzo...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O5/c1-22(2,3)32-21(31)27-17(19(29)30)11-13-7-9-15(10-8-13)25-18(28)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141335
(3-{3-Ethyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-yl...)Show SMILES CCc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 |w:6.6,t:23| Show InChI InChI=1S/C22H24N4O3/c1-2-16-13-15(8-10-20(27)28)7-9-19(16)26-21(29)17-5-3-6-18(14-17)25-22-23-11-4-12-24-22/h3,5-10,13-14H,2,4,11-12H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141310
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141309
(2-Benzenesulfonylamino-3-[4-(3-guanidino-benzoylam...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C23H23N5O5S/c24-23(25)27-18-6-4-5-16(14-18)21(29)26-17-11-9-15(10-12-17)13-20(22(30)31)28-34(32,33)19-7-2-1-3-8-19/h1-12,14,20,28H,13H2,(H,26,29)(H,30,31)(H4,24,25,27) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50141324
(2-Isopropoxycarbonylamino-3-{2-methoxy-4-[3-(1,4,5...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O |t:14| Show InChI InChI=1S/C25H31N5O6/c1-15(2)36-25(34)30-20(23(32)33)13-16-8-9-19(14-21(16)35-3)28-22(31)17-6-4-7-18(12-17)29-24-26-10-5-11-27-24/h4,6-9,12,14-15,20H,5,10-11,13H2,1-3H3,(H,28,31)(H,30,34)(H,32,33)(H2,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50141309
(2-Benzenesulfonylamino-3-[4-(3-guanidino-benzoylam...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C23H23N5O5S/c24-23(25)27-18-6-4-5-16(14-18)21(29)26-17-11-9-15(10-12-17)13-20(22(30)31)28-34(32,33)19-7-2-1-3-8-19/h1-12,14,20,28H,13H2,(H,26,29)(H,30,31)(H4,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141334
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141334
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141313
(2-Isopropoxycarbonylamino-3-{4-[3-(5-oxo-4,5-dihyd...)Show SMILES CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(Nc3nc(O)c[nH]3)c2)cc1)C(O)=O Show InChI InChI=1S/C23H25N5O6/c1-13(2)34-23(33)27-18(21(31)32)10-14-6-8-16(9-7-14)25-20(30)15-4-3-5-17(11-15)26-22-24-12-19(29)28-22/h3-9,11-13,18,29H,10H2,1-2H3,(H,25,30)(H,27,33)(H,31,32)(H2,24,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141313
(2-Isopropoxycarbonylamino-3-{4-[3-(5-oxo-4,5-dihyd...)Show SMILES CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(Nc3nc(O)c[nH]3)c2)cc1)C(O)=O Show InChI InChI=1S/C23H25N5O6/c1-13(2)34-23(33)27-18(21(31)32)10-14-6-8-16(9-7-14)25-20(30)15-4-3-5-17(11-15)26-22-24-12-19(29)28-22/h3-9,11-13,18,29H,10H2,1-2H3,(H,25,30)(H,27,33)(H,31,32)(H2,24,26,28) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141329
(2-Benzenesulfonylamino-3-{4-[3-(1,4,5,6-tetrahydro...)Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1)NS(=O)(=O)c1ccccc1 |t:18| Show InChI InChI=1S/C26H27N5O5S/c32-24(19-6-4-7-21(17-19)30-26-27-14-5-15-28-26)29-20-12-10-18(11-13-20)16-23(25(33)34)31-37(35,36)22-8-2-1-3-9-22/h1-4,6-13,17,23,31H,5,14-16H2,(H,29,32)(H,33,34)(H2,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141310
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141333
(2-tert-Butoxycarbonylamino-3-[4-(3-guanidino-benzo...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O5/c1-22(2,3)32-21(31)27-17(19(29)30)11-13-7-9-15(10-8-13)25-18(28)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141355
(3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...)Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O6/c1-12(2)33-22(31)27-17(20(29)30)10-13-7-8-16(11-18(13)32-3)25-19(28)14-5-4-6-15(9-14)26-21(23)24/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50141355
(3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...)Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O6/c1-12(2)33-22(31)27-17(20(29)30)10-13-7-8-16(11-18(13)32-3)25-19(28)14-5-4-6-15(9-14)26-21(23)24/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141347
(2-(2-Carboxy-vinyl)-5-(3-guanidino-benzoylamino)-b...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)c(c1)-[#6](-[#8])=O |w:18.19| Show InChI InChI=1S/C18H16N4O5/c19-18(20)22-12-3-1-2-11(8-12)16(25)21-13-6-4-10(5-7-15(23)24)14(9-13)17(26)27/h1-9H,(H,21,25)(H,23,24)(H,26,27)(H4,19,20,22) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141313
(2-Isopropoxycarbonylamino-3-{4-[3-(5-oxo-4,5-dihyd...)Show SMILES CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(Nc3nc(O)c[nH]3)c2)cc1)C(O)=O Show InChI InChI=1S/C23H25N5O6/c1-13(2)34-23(33)27-18(21(31)32)10-14-6-8-16(9-7-14)25-20(30)15-4-3-5-17(11-15)26-22-24-12-19(29)28-22/h3-9,11-13,18,29H,10H2,1-2H3,(H,25,30)(H,27,33)(H,31,32)(H2,24,26,28) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141327
(3-{3-Methyl-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)Show SMILES Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 |w:5.5,t:22| Show InChI InChI=1S/C21H22N4O3/c1-14-12-15(7-9-19(26)27)6-8-18(14)25-20(28)16-4-2-5-17(13-16)24-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141354
(CHEMBL285192 | {2-Methoxy-4-[3-(1,4,5,6-tetrahydro...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14| Show InChI InChI=1S/C20H22N4O5/c1-28-17-11-15(6-7-16(17)29-12-18(25)26)23-19(27)13-4-2-5-14(10-13)24-20-21-8-3-9-22-20/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,23,27)(H,25,26)(H2,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141343
(3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...)Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)c(Cl)c1 |w:3.2,t:18| Show InChI InChI=1S/C20H19ClN4O3/c21-16-11-13(6-8-18(26)27)5-7-17(16)25-19(28)14-3-1-4-15(12-14)24-20-22-9-2-10-23-20/h1,3-8,11-12H,2,9-10H2,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141322
(3-{4-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-b...)Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 |w:3.2,t:18| Show InChI InChI=1S/C20H20N4O3/c25-18(26)10-7-14-5-8-16(9-6-14)23-19(27)15-3-1-4-17(13-15)24-20-21-11-2-12-22-20/h1,3-10,13H,2,11-12H2,(H,23,27)(H,25,26)(H2,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141322
(3-{4-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-b...)Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 |w:3.2,t:18| Show InChI InChI=1S/C20H20N4O3/c25-18(26)10-7-14-5-8-16(9-6-14)23-19(27)15-3-1-4-17(13-15)24-20-21-11-2-12-22-20/h1,3-10,13H,2,11-12H2,(H,23,27)(H,25,26)(H2,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141321
(3-{2-Methoxy-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-...)Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1C=CC(O)=O |w:25.28,t:14| Show InChI InChI=1S/C21H22N4O4/c1-29-18-13-17(8-6-14(18)7-9-19(26)27)24-20(28)15-4-2-5-16(12-15)25-21-22-10-3-11-23-21/h2,4-9,12-13H,3,10-11H2,1H3,(H,24,28)(H,26,27)(H2,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141333
(2-tert-Butoxycarbonylamino-3-[4-(3-guanidino-benzo...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H27N5O5/c1-22(2,3)32-21(31)27-17(19(29)30)11-13-7-9-15(10-8-13)25-18(28)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141350
(2-Acetylamino-3-[4-(3-guanidino-benzoylamino)-phen...)Show SMILES [#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C19H21N5O4/c1-11(25)22-16(18(27)28)9-12-5-7-14(8-6-12)23-17(26)13-3-2-4-15(10-13)24-19(20)21/h2-8,10,16H,9H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H4,20,21,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141334
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141350
(2-Acetylamino-3-[4-(3-guanidino-benzoylamino)-phen...)Show SMILES [#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C19H21N5O4/c1-11(25)22-16(18(27)28)9-12-5-7-14(8-6-12)23-17(26)13-3-2-4-15(10-13)24-19(20)21/h2-8,10,16H,9H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H4,20,21,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141311
(3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...)Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141339
(2-(3-tert-Butyl-ureido)-3-[4-(3-guanidino-benzoyla...)Show SMILES [#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H28N6O4/c1-22(2,3)28-21(32)27-17(19(30)31)11-13-7-9-15(10-8-13)25-18(29)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,29)(H,30,31)(H4,23,24,26)(H2,27,28,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141357
(3-[3-Ethyl-4-(3-guanidino-benzoylamino)-phenyl]-ac...)Show SMILES [#6]-[#6]-c1cc(-[#6]=[#6]-[#6](-[#8])=O)ccc1-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |w:6.6| Show InChI InChI=1S/C19H20N4O3/c1-2-13-10-12(7-9-17(24)25)6-8-16(13)23-18(26)14-4-3-5-15(11-14)22-19(20)21/h3-11H,2H2,1H3,(H,23,26)(H,24,25)(H4,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141311
(3-{4-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-benzoy...)Show SMILES Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23| Show InChI InChI=1S/C21H22N4O3/c1-13-10-15(6-7-18(26)27)11-14(2)19(13)25-20(28)16-4-3-5-17(12-16)24-21-22-8-9-23-21/h3-7,10-12H,8-9H2,1-2H3,(H,25,28)(H,26,27)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141339
(2-(3-tert-Butyl-ureido)-3-[4-(3-guanidino-benzoyla...)Show SMILES [#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C22H28N6O4/c1-22(2,3)28-21(32)27-17(19(30)31)11-13-7-9-15(10-8-13)25-18(29)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,29)(H,30,31)(H4,23,24,26)(H2,27,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50141310
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50141331
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 14: 1471-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS |
More data for this Ligand-Target Pair | |