Found 62 hits with Last Name = 'ki yeon' and Initial = 's' 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-1
(Homo sapiens (Human)) | BDBM50554031
(CHEMBL4749110)Show SMILES NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50554030
(CHEMBL4756339)Show SMILES NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50554032
(CHEMBL4741135)Show SMILES NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50199195
(CHEMBL3892042 | US10131658, Compound 8)Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H34N6O6S/c27-26(28)29-15-5-4-10-23(33)30-19-13-11-18(12-14-19)17-21(25(35)36)31-24(34)22-9-6-16-32(22)39(37,38)20-7-2-1-3-8-20/h1-3,7-8,11-14,21-22H,4-6,9-10,15-17H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472679
(US10836720, HIJ-1017)Show SMILES NC(=N)NCCCCCNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N7O6S/c22-20(23)24-11-5-2-6-12-25-21(32)26-14-16(19(30)31)27-18(29)17-10-7-13-28(17)35(33,34)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H,27,29)(H,30,31)(H4,22,23,24)(H2,25,26,32)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472684
(US10836720, HIJ-1018)Show SMILES NC(=N)NCCCCCCNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H35N7O6S/c23-21(24)25-12-6-1-2-7-13-26-22(33)27-15-17(20(31)32)28-19(30)18-11-8-14-29(18)36(34,35)16-9-4-3-5-10-16/h3-5,9-10,17-18H,1-2,6-8,11-15H2,(H,28,30)(H,31,32)(H4,23,24,25)(H2,26,27,33)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50554032
(CHEMBL4741135)Show SMILES NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50554031
(CHEMBL4749110)Show SMILES NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50554030
(CHEMBL4756339)Show SMILES NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472676
(US10836720, HIJ-1016)Show SMILES NC(=N)NCCCCNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C20H31N7O6S/c21-19(22)23-10-4-5-11-24-20(31)25-13-15(18(29)30)26-17(28)16-9-6-12-27(16)34(32,33)14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,26,28)(H,29,30)(H4,21,22,23)(H2,24,25,31)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472689
(US10836720, HIJ-1094)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H29N7O7S/c25-24(26)29-16-7-4-6-15(12-16)21(33)28-14-20(32)27-13-18(23(35)36)30-22(34)19-10-5-11-31(19)39(37,38)17-8-2-1-3-9-17/h1-4,6-9,12,18-19H,5,10-11,13-14H2,(H,27,32)(H,28,33)(H,30,34)(H,35,36)(H4,25,26,29)/t18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472698
(US10836720, HIJ-1437)Show SMILES NCCCC(=O)Nc1cc(NC(N)=N)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H37N9O8S/c29-10-4-9-23(38)34-18-12-17(13-19(14-18)35-28(30)31)25(40)33-16-24(39)32-15-21(27(42)43)36-26(41)22-8-5-11-37(22)46(44,45)20-6-2-1-3-7-20/h1-3,6-7,12-14,21-22H,4-5,8-11,15-16,29H2,(H,32,39)(H,33,40)(H,34,38)(H,36,41)(H,42,43)(H4,30,31,35)/t21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472689
(US10836720, HIJ-1094)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H29N7O7S/c25-24(26)29-16-7-4-6-15(12-16)21(33)28-14-20(32)27-13-18(23(35)36)30-22(34)19-10-5-11-31(19)39(37,38)17-8-2-1-3-9-17/h1-4,6-9,12,18-19H,5,10-11,13-14H2,(H,27,32)(H,28,33)(H,30,34)(H,35,36)(H4,25,26,29)/t18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472690
(US10836720, HIJ-1099)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H28N8O7S/c24-22(25)27-15-7-4-6-14(12-15)19(32)29-30-23(36)26-13-17(21(34)35)28-20(33)18-10-5-11-31(18)39(37,38)16-8-2-1-3-9-16/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,28,33)(H,29,32)(H,34,35)(H4,24,25,27)(H2,26,30,36)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50554031
(CHEMBL4749110)Show SMILES NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50554029
(CHEMBL4750022)Show SMILES CCCCCCCC(=O)Nc1cc(NC(N)=N)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50554030
(CHEMBL4756339)Show SMILES NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472690
(US10836720, HIJ-1099)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H28N8O7S/c24-22(25)27-15-7-4-6-14(12-15)19(32)29-30-23(36)26-13-17(21(34)35)28-20(33)18-10-5-11-31(18)39(37,38)16-8-2-1-3-9-16/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,28,33)(H,29,32)(H,34,35)(H4,24,25,27)(H2,26,30,36)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50554032
(CHEMBL4741135)Show SMILES NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM472686
(US10836720, HIJ-1083)Show SMILES NC(=N)NCCCCCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H32N6O6S/c22-21(23)24-12-6-2-5-11-18(28)25-14-16(20(30)31)26-19(29)17-10-7-13-27(17)34(32,33)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta5 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472679
(US10836720, HIJ-1017)Show SMILES NC(=N)NCCCCCNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N7O6S/c22-20(23)24-11-5-2-6-12-25-21(32)26-14-16(19(30)31)27-18(29)17-10-7-13-28(17)35(33,34)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H,27,29)(H,30,31)(H4,22,23,24)(H2,25,26,32)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472686
(US10836720, HIJ-1083)Show SMILES NC(=N)NCCCCCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H32N6O6S/c22-21(23)24-12-6-2-5-11-18(28)25-14-16(20(30)31)26-19(29)17-10-7-13-27(17)34(32,33)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472684
(US10836720, HIJ-1018)Show SMILES NC(=N)NCCCCCCNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H35N7O6S/c23-21(24)25-12-6-1-2-7-13-26-22(33)27-15-17(20(31)32)28-19(30)18-11-8-14-29(18)36(34,35)16-9-4-3-5-10-16/h3-5,9-10,17-18H,1-2,6-8,11-15H2,(H,28,30)(H,31,32)(H4,23,24,25)(H2,26,27,33)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50554032
(CHEMBL4741135)Show SMILES NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta5 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM472689
(US10836720, HIJ-1094)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H29N7O7S/c25-24(26)29-16-7-4-6-15(12-16)21(33)28-14-20(32)27-13-18(23(35)36)30-22(34)19-10-5-11-31(19)39(37,38)17-8-2-1-3-9-17/h1-4,6-9,12,18-19H,5,10-11,13-14H2,(H,27,32)(H,28,33)(H,30,34)(H,35,36)(H4,25,26,29)/t18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta3 integrin (unknown origin) expressed in human SW480 cells transfected with human beta3 assessed as inhibition of cell adhesi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta5 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM472690
(US10836720, HIJ-1099)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H28N8O7S/c24-22(25)27-15-7-4-6-14(12-15)19(32)29-30-23(36)26-13-17(21(34)35)28-20(33)18-10-5-11-31(18)39(37,38)16-8-2-1-3-9-16/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,28,33)(H,29,32)(H,34,35)(H4,24,25,27)(H2,26,30,36)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta3 integrin (unknown origin) expressed in human SW480 cells transfected with human beta3 assessed as inhibition of cell adhesi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-8
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta3 integrin (unknown origin) expressed in human SW480 cells transfected with human beta3 assessed as inhibition of cell adhesi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM472676
(US10836720, HIJ-1016)Show SMILES NC(=N)NCCCCNC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C20H31N7O6S/c21-19(22)23-10-4-5-11-24-20(31)25-13-15(18(29)30)26-17(28)16-9-6-12-27(16)34(32,33)14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,26,28)(H,29,30)(H4,21,22,23)(H2,24,25,31)/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal viole... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-8
(Homo sapiens (Human)) | BDBM50554032
(CHEMBL4741135)Show SMILES NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-8
(Homo sapiens (Human)) | BDBM50554031
(CHEMBL4749110)Show SMILES NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-8
(Homo sapiens (Human)) | BDBM50554030
(CHEMBL4756339)Show SMILES NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-8
(Homo sapiens (Human)) | BDBM472699
(US10836720, HIJ-1483)Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50554032
(CHEMBL4741135)Show SMILES NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50554031
(CHEMBL4749110)Show SMILES NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50554030
(CHEMBL4756339)Show SMILES NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50554031
(CHEMBL4749110)Show SMILES NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta5 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50554033
(CHEMBL4794201)Show SMILES NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of alphavbeta3 integrin (unknown origin) by solid phase binding assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5 |
More data for this
Ligand-Target Pair | |
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