Found 537 hits with Last Name = 'khanna' and Initial = 'ik' 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)) | BDBM50177621
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177626
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1 Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31) | 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
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209124
((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3| Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209124
((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3| Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177628
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209124
((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3| Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177626
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1 Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209131
(4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...)Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209132
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209121
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177629
(3-(2-cyclopropylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tet...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1 Show InChI InChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209121
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177621
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177618
(3-(2,3-dihydrobenzofuran-6-yl)-4-(3-(3-(5,6,7,8-te...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H28N4O4/c30-24(31)15-19(18-7-6-16-10-12-32-21(16)13-18)14-23-28-22(29-33-23)5-1-4-20-9-8-17-3-2-11-26-25(17)27-20/h6-9,13,19H,1-5,10-12,14-15H2,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177628
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177636
(3-(quinolin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H27N5O3/c32-25(33)15-19(20-13-18-5-1-2-8-22(18)28-16-20)14-24-30-23(31-34-24)9-3-7-21-11-10-17-6-4-12-27-26(17)29-21/h1-2,5,8,10-11,13,16,19H,3-4,6-7,9,12,14-15H2,(H,27,29)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177616
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-morpho...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O6/c32-26(33)15-19(18-4-5-21-22(13-18)36-17-35-21)14-25-29-23(30-37-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-34-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177622
(3-(pyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-n...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1 Show InChI InChI=1S/C22H25N5O3/c28-21(29)13-17(16-5-2-10-23-14-16)12-20-26-19(27-30-20)7-1-6-18-9-8-15-4-3-11-24-22(15)25-18/h2,5,8-10,14,17H,1,3-4,6-7,11-13H2,(H,24,25)(H,28,29) | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177616
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-morpho...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O6/c32-26(33)15-19(18-4-5-21-22(13-18)36-17-35-21)14-25-29-23(30-37-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-34-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209120
((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209120
((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177640
(3-(6-methoxypyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahy...)Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1nc(CCCc2ccc3CCCNc3n2)no1 Show InChI InChI=1S/C23H27N5O4/c1-31-20-10-8-16(14-25-20)17(13-22(29)30)12-21-27-19(28-32-21)6-2-5-18-9-7-15-4-3-11-24-23(15)26-18/h7-10,14,17H,2-6,11-13H2,1H3,(H,24,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177624
(3-(3-fluorophenyl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccc(F)c1 Show InChI InChI=1S/C23H25FN4O3/c24-18-6-1-4-16(12-18)17(14-22(29)30)13-21-27-20(28-31-21)8-2-7-19-10-9-15-5-3-11-25-23(15)26-19/h1,4,6,9-10,12,17H,2-3,5,7-8,11,13-14H2,(H,25,26)(H,29,30) | 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
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177627
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-methox...)Show SMILES COc1ccnc(NCCCCc2noc(C[C@@H](CC(O)=O)c3ccc4OCOc4c3)n2)c1 Show InChI InChI=1S/C23H26N4O6/c1-30-17-7-9-25-21(13-17)24-8-3-2-4-20-26-22(33-27-20)11-16(12-23(28)29)15-5-6-18-19(10-15)32-14-31-18/h5-7,9-10,13,16H,2-4,8,11-12,14H2,1H3,(H,24,25)(H,28,29)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50177629
(3-(2-cyclopropylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tet...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1 Show InChI InChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177617
(3-(1-phenyl-1H-pyrazol-4-yl)-4-(3-(3-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnn(c1)-c1ccccc1 Show InChI InChI=1S/C26H28N6O3/c33-25(34)15-19(20-16-28-32(17-20)22-8-2-1-3-9-22)14-24-30-23(31-35-24)10-4-7-21-12-11-18-6-5-13-27-26(18)29-21/h1-3,8-9,11-12,16-17,19H,4-7,10,13-15H2,(H,27,29)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177637
(3-(2-methylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tetrahyd...)Show SMILES Cc1ncc(s1)C(CC(O)=O)Cc1nc(CCCc2ccc3CCCNc3n2)no1 Show InChI InChI=1S/C21H25N5O3S/c1-13-23-12-17(30-13)15(11-20(27)28)10-19-25-18(26-29-19)6-2-5-16-8-7-14-4-3-9-22-21(14)24-16/h7-8,12,15H,2-6,9-11H2,1H3,(H,22,24)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177629
(3-(2-cyclopropylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tet...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1 Show InChI InChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209125
((2,2-dichloro-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Cl)Cl |w:5.5,4.3| Show InChI InChI=1S/C21H22Cl2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177622
(3-(pyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-n...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1 Show InChI InChI=1S/C22H25N5O3/c28-21(29)13-17(16-5-2-10-23-14-16)12-20-26-19(27-30-20)7-1-6-18-9-8-15-4-3-11-24-22(15)25-18/h2,5,8-10,14,17H,1,3-4,6-7,11-13H2,(H,24,25)(H,28,29) | 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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209125
((2,2-dichloro-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Cl)Cl |w:5.5,4.3| Show InChI InChI=1S/C21H22Cl2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27) | 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 Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209122
((2,2-dibromo-3-{4-[2-(5,6,7,8-tetrahydro-1,8-napht...)Show SMILES OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3| Show InChI InChI=1S/C21H22Br2N2O3/c22-21(23)17(12-18(26)27)19(21)13-4-7-16(8-5-13)28-11-9-15-6-3-14-2-1-10-24-20(14)25-15/h3-8,17,19H,1-2,9-12H2,(H,24,25)(H,26,27) | 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 Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177639
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(1-methyl-1,2...)Show SMILES CN1CCNc2nc(CCCc3noc(CC(CC(O)=O)c4ccc5OCOc5c4)n3)ccc12 Show InChI InChI=1S/C24H27N5O5/c1-29-10-9-25-24-18(29)7-6-17(26-24)3-2-4-21-27-22(34-28-21)12-16(13-23(30)31)15-5-8-19-20(11-15)33-14-32-19/h5-8,11,16H,2-4,9-10,12-14H2,1H3,(H,25,26)(H,30,31) | 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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50177628
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177624
(3-(3-fluorophenyl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccc(F)c1 Show InChI InChI=1S/C23H25FN4O3/c24-18-6-1-4-16(12-18)17(14-22(29)30)13-21-27-20(28-31-21)8-2-7-19-10-9-15-5-3-11-25-23(15)26-19/h1,4,6,9-10,12,17H,2-3,5,7-8,11,13-14H2,(H,25,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177634
(3-phenyl-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyri...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccccc1 Show InChI InChI=1S/C23H26N4O3/c28-22(29)15-18(16-6-2-1-3-7-16)14-21-26-20(27-30-21)10-4-9-19-12-11-17-8-5-13-24-23(17)25-19/h1-3,6-7,11-12,18H,4-5,8-10,13-15H2,(H,24,25)(H,28,29) | PDB
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| Article
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| 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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209131
(4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...)Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4| Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177632
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-methyl...)Show SMILES Cc1ccnc(NCCCCc2noc(C[C@@H](CC(O)=O)c3ccc4OCOc4c3)n2)c1 Show InChI InChI=1S/C23H26N4O5/c1-15-7-9-25-21(10-15)24-8-3-2-4-20-26-22(32-27-20)12-17(13-23(28)29)16-5-6-18-19(11-16)31-14-30-18/h5-7,9-11,17H,2-4,8,12-14H2,1H3,(H,24,25)(H,28,29)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
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| 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
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50209133
((2-{2,3-difluoro-4-[2-(5,6,7,8-tetrahydro-1,8-naph...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1F |w:6.7,4.3| Show InChI InChI=1S/C21H22F2N2O3/c22-19-15(16-10-13(16)11-18(26)27)5-6-17(20(19)23)28-9-7-14-4-3-12-2-1-8-24-21(12)25-14/h3-6,13,16H,1-2,7-11H2,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177630
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(6-(methylami...)Show SMILES CNc1cccc(CCCc2noc(CC(CC(O)=O)c3ccc4OCOc4c3)n2)n1 Show InChI InChI=1S/C22H24N4O5/c1-23-19-6-2-4-16(24-19)5-3-7-20-25-21(31-26-20)11-15(12-22(27)28)14-8-9-17-18(10-14)30-13-29-17/h2,4,6,8-10,15H,3,5,7,11-13H2,1H3,(H,23,24)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177618
(3-(2,3-dihydrobenzofuran-6-yl)-4-(3-(3-(5,6,7,8-te...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H28N4O4/c30-24(31)15-19(18-7-6-16-10-12-32-21(16)13-18)14-23-28-22(29-33-23)5-1-4-20-9-8-17-3-2-11-26-25(17)27-20/h6-9,13,19H,1-5,10-12,14-15H2,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177619
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(pyridin-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2ccccn2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N4O5/c27-22(28)13-16(15-7-8-17-18(11-15)30-14-29-17)12-21-25-20(26-31-21)6-2-4-10-24-19-5-1-3-9-23-19/h1,3,5,7-9,11,16H,2,4,6,10,12-14H2,(H,23,24)(H,27,28)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50177628
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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
Inhibition of Integrin alphav-beta1 receptor expressed in HEK293 cell line |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50177626
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1 Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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
Inhibition of Integrin alphav-beta1 receptor expressed in HEK293 cell line |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50177621
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50209132
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphavbeta5 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50057943
(4-[2-(3-Chloro-4-methyl-phenyl)-4-trifluoromethyl-...)Show SMILES Cc1ccc(cc1Cl)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O2S/c1-10-2-3-11(8-14(10)18)16-23-15(17(19,20)21)9-24(16)12-4-6-13(7-5-12)27(22,25)26/h2-9H,1H3,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development
Curated by ChEMBL
| Assay Description
Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50% |
J Med Chem 40: 1634-47 (1997)
Article DOI: 10.1021/jm9700225
BindingDB Entry DOI: 10.7270/Q2F76BN0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50209120
((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...)Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3| Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphavbeta5 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 3390-412 (2007)
Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177630
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(6-(methylami...)Show SMILES CNc1cccc(CCCc2noc(CC(CC(O)=O)c3ccc4OCOc4c3)n2)n1 Show InChI InChI=1S/C22H24N4O5/c1-23-19-6-2-4-16(24-19)5-3-7-20-25-21(31-26-20)11-15(12-22(27)28)14-8-9-17-18(10-14)30-13-29-17/h2,4,6,8-10,15H,3,5,7,11-13H2,1H3,(H,23,24)(H,27,28) | 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
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50177622
(3-(pyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-n...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1 Show InChI InChI=1S/C22H25N5O3/c28-21(29)13-17(16-5-2-10-23-14-16)12-20-26-19(27-30-20)7-1-6-18-9-8-15-4-3-11-24-22(15)25-18/h2,5,8-10,14,17H,1,3-4,6-7,11-13H2,(H,24,25)(H,28,29) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this
Ligand-Target Pair | |
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