Found 48 hits with Last Name = 'calorini' and Initial = 'l' 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)) | BDBM50233956
(CHEMBL4075011)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCNC(=O)CCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C44H58FN15O9/c1-23-32(18-29-28-16-25(45)7-9-30(28)55-39(29)65)52-24(2)38(23)43(69)49-13-12-48-35(61)10-8-26-22-60(58-57-26)15-4-3-14-59-21-27-17-34(59)42(68)56-31(6-5-11-50-44(46)47)40(66)51-20-36(62)54-33(19-37(63)64)41(67)53-27/h7,9,16,18,22,27,31,33-34,52H,3-6,8,10-15,17,19-21H2,1-2H3,(H,48,61)(H,49,69)(H,51,66)(H,53,67)(H,54,62)(H,55,65)(H,56,68)(H,63,64)(H4,46,47,50)/b29-18-/t27-,31-,33-,34-/m0/s1 | 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 |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated vitronectin from recombinant human integrin alphaVbeta3 dark incubated for 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta (unknown origin) phosphorylation |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50237601
(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233954
(CHEMBL4066412)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)c1 |r| Show InChI InChI=1S/C81H114FN27O19/c1-4-105(23-17-87-79(124)70-46(2)61(93-47(70)3)35-57-56-31-49(82)13-14-58(56)98-72(57)117)24-26-126-28-27-125-25-18-88-71(116)48-29-54(127-44-52-42-108(103-101-52)21-7-5-19-106-40-50-32-64(106)77(122)99-59(11-9-15-89-80(83)84)73(118)91-38-66(110)96-62(36-68(112)113)75(120)94-50)34-55(30-48)128-45-53-43-109(104-102-53)22-8-6-20-107-41-51-33-65(107)78(123)100-60(12-10-16-90-81(85)86)74(119)92-39-67(111)97-63(37-69(114)115)76(121)95-51/h13-14,29-31,34-35,42-43,50-51,59-60,62-65,93H,4-12,15-28,32-33,36-41,44-45H2,1-3H3,(H,87,124)(H,88,116)(H,91,118)(H,92,119)(H,94,120)(H,95,121)(H,96,110)(H,97,111)(H,98,117)(H,99,122)(H,100,123)(H,112,113)(H,114,115)(H4,83,84,89)(H4,85,86,90)/b57-35-/t50-,51-,59-,60-,62-,63-,64-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated vitronectin from recombinant human integrin alphaVbeta3 dark incubated for 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233955
(CHEMBL4095441)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C50H72FN15O11/c1-4-64(15-12-54-49(74)44-30(2)39(57-31(44)3)24-36-35-22-32(51)9-10-37(35)60-45(36)70)16-17-75-18-19-76-20-21-77-29-34-28-66(63-62-34)14-6-5-13-65-27-33-23-41(65)48(73)61-38(8-7-11-55-50(52)53)46(71)56-26-42(67)59-40(25-43(68)69)47(72)58-33/h9-10,22,24,28,33,38,40-41,57H,4-8,11-21,23,25-27,29H2,1-3H3,(H,54,74)(H,56,71)(H,58,72)(H,59,67)(H,60,70)(H,61,73)(H,68,69)(H4,52,53,55)/b36-24-/t33-,38-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated vitronectin from recombinant human integrin alphaVbeta3 dark incubated for 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233958
(CHEMBL4087743)Show SMILES NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C19H33N9O6/c20-3-5-28-9-10-6-13(28)18(34)27-11(2-1-4-23-19(21)22)16(32)24-8-14(29)26-12(7-15(30)31)17(33)25-10/h10-13H,1-9,20H2,(H,24,32)(H,25,33)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t10-,11-,12-,13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50276747
(CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I] echistatin from alphaVbeta3 integrin isolated from human placenta after 3 hrs by liquid scintillation counter |
J Med Chem 55: 5024-33 (2012)
Article DOI: 10.1021/jm2016232 BindingDB Entry DOI: 10.7270/Q2FQ9XPF |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50233954
(CHEMBL4066412)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)c1 |r| Show InChI InChI=1S/C81H114FN27O19/c1-4-105(23-17-87-79(124)70-46(2)61(93-47(70)3)35-57-56-31-49(82)13-14-58(56)98-72(57)117)24-26-126-28-27-125-25-18-88-71(116)48-29-54(127-44-52-42-108(103-101-52)21-7-5-19-106-40-50-32-64(106)77(122)99-59(11-9-15-89-80(83)84)73(118)91-38-66(110)96-62(36-68(112)113)75(120)94-50)34-55(30-48)128-45-53-43-109(104-102-53)22-8-6-20-107-41-51-33-65(107)78(123)100-60(12-10-16-90-81(85)86)74(119)92-39-67(111)97-63(37-69(114)115)76(121)95-51/h13-14,29-31,34-35,42-43,50-51,59-60,62-65,93H,4-12,15-28,32-33,36-41,44-45H2,1-3H3,(H,87,124)(H,88,116)(H,91,118)(H,92,119)(H,94,120)(H,95,121)(H,96,110)(H,97,111)(H,98,117)(H,99,122)(H,100,123)(H,112,113)(H,114,115)(H4,83,84,89)(H4,85,86,90)/b57-35-/t50-,51-,59-,60-,62-,63-,64-,65-/m0/s1 | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PDGFRbeta expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate measured after 30 mins by LANCE m... |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50233956
(CHEMBL4075011)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCNC(=O)CCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C44H58FN15O9/c1-23-32(18-29-28-16-25(45)7-9-30(28)55-39(29)65)52-24(2)38(23)43(69)49-13-12-48-35(61)10-8-26-22-60(58-57-26)15-4-3-14-59-21-27-17-34(59)42(68)56-31(6-5-11-50-44(46)47)40(66)51-20-36(62)54-33(19-37(63)64)41(67)53-27/h7,9,16,18,22,27,31,33-34,52H,3-6,8,10-15,17,19-21H2,1-2H3,(H,48,61)(H,49,69)(H,51,66)(H,53,67)(H,54,62)(H,55,65)(H,56,68)(H,63,64)(H4,46,47,50)/b29-18-/t27-,31-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated fibronectin from recombinant human integrin alpha5beta1 dark incubated for 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50389204
(CHEMBL2062977)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])c(I)c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H35IN8O9/c27-14-8-13(3-4-19(14)36)9-17-25(43)35-6-7-44-12-18(35)24(42)33-15(2-1-5-30-26(28)29)22(40)31-11-20(37)32-16(10-21(38)39)23(41)34-17/h3-4,8,15-18,36H,1-2,5-7,9-12H2,(H,31,40)(H,32,37)(H,33,42)(H,34,41)(H,38,39)(H4,28,29,30)/t15-,16-,17+,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I] echistatin from alphaVbeta3 integrin isolated from human placenta after 3 hrs by liquid scintillation counter |
J Med Chem 55: 5024-33 (2012)
Article DOI: 10.1021/jm2016232 BindingDB Entry DOI: 10.7270/Q2FQ9XPF |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) phosphorylation |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50233954
(CHEMBL4066412)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)c1 |r| Show InChI InChI=1S/C81H114FN27O19/c1-4-105(23-17-87-79(124)70-46(2)61(93-47(70)3)35-57-56-31-49(82)13-14-58(56)98-72(57)117)24-26-126-28-27-125-25-18-88-71(116)48-29-54(127-44-52-42-108(103-101-52)21-7-5-19-106-40-50-32-64(106)77(122)99-59(11-9-15-89-80(83)84)73(118)91-38-66(110)96-62(36-68(112)113)75(120)94-50)34-55(30-48)128-45-53-43-109(104-102-53)22-8-6-20-107-41-51-33-65(107)78(123)100-60(12-10-16-90-81(85)86)74(119)92-39-67(111)97-63(37-69(114)115)76(121)95-51/h13-14,29-31,34-35,42-43,50-51,59-60,62-65,93H,4-12,15-28,32-33,36-41,44-45H2,1-3H3,(H,87,124)(H,88,116)(H,91,118)(H,92,119)(H,94,120)(H,95,121)(H,96,110)(H,97,111)(H,98,117)(H,99,122)(H,100,123)(H,112,113)(H,114,115)(H4,83,84,89)(H4,85,86,90)/b57-35-/t50-,51-,59-,60-,62-,63-,64-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated fibronectin from recombinant human integrin alpha5beta1 dark incubated for 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50233955
(CHEMBL4095441)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C50H72FN15O11/c1-4-64(15-12-54-49(74)44-30(2)39(57-31(44)3)24-36-35-22-32(51)9-10-37(35)60-45(36)70)16-17-75-18-19-76-20-21-77-29-34-28-66(63-62-34)14-6-5-13-65-27-33-23-41(65)48(73)61-38(8-7-11-55-50(52)53)46(71)56-26-42(67)59-40(25-43(68)69)47(72)58-33/h9-10,22,24,28,33,38,40-41,57H,4-8,11-21,23,25-27,29H2,1-3H3,(H,54,74)(H,56,71)(H,58,72)(H,59,67)(H,60,70)(H,61,73)(H,68,69)(H4,52,53,55)/b36-24-/t33-,38-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated fibronectin from recombinant human integrin alpha5beta1 dark incubated for 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50233958
(CHEMBL4087743)Show SMILES NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C19H33N9O6/c20-3-5-28-9-10-6-13(28)18(34)27-11(2-1-4-23-19(21)22)16(32)24-8-14(29)26-12(7-15(30)31)17(33)25-10/h10-13H,1-9,20H2,(H,24,32)(H,25,33)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t10-,11-,12-,13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of alpha5beta1 (unknown origin) |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50233958
(CHEMBL4087743)Show SMILES NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C19H33N9O6/c20-3-5-28-9-10-6-13(28)18(34)27-11(2-1-4-23-19(21)22)16(32)24-8-14(29)26-12(7-15(30)31)17(33)25-10/h10-13H,1-9,20H2,(H,24,32)(H,25,33)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t10-,11-,12-,13-/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 | 315 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of biotinylated vitronectin from human integrin alphaVbeta5 measured after 3 hrs by solid-phase receptor binding assay |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50233954
(CHEMBL4066412)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)c1 |r| Show InChI InChI=1S/C81H114FN27O19/c1-4-105(23-17-87-79(124)70-46(2)61(93-47(70)3)35-57-56-31-49(82)13-14-58(56)98-72(57)117)24-26-126-28-27-125-25-18-88-71(116)48-29-54(127-44-52-42-108(103-101-52)21-7-5-19-106-40-50-32-64(106)77(122)99-59(11-9-15-89-80(83)84)73(118)91-38-66(110)96-62(36-68(112)113)75(120)94-50)34-55(30-48)128-45-53-43-109(104-102-53)22-8-6-20-107-41-51-33-65(107)78(123)100-60(12-10-16-90-81(85)86)74(119)92-39-67(111)97-63(37-69(114)115)76(121)95-51/h13-14,29-31,34-35,42-43,50-51,59-60,62-65,93H,4-12,15-28,32-33,36-41,44-45H2,1-3H3,(H,87,124)(H,88,116)(H,91,118)(H,92,119)(H,94,120)(H,95,121)(H,96,110)(H,97,111)(H,98,117)(H,99,122)(H,100,123)(H,112,113)(H,114,115)(H4,83,84,89)(H4,85,86,90)/b57-35-/t50-,51-,59-,60-,62-,63-,64-,65-/m0/s1 | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of recombinant human VEGFR2 expressed in Sf9 cells using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE method |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233956
(CHEMBL4075011)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCNC(=O)CCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C44H58FN15O9/c1-23-32(18-29-28-16-25(45)7-9-30(28)55-39(29)65)52-24(2)38(23)43(69)49-13-12-48-35(61)10-8-26-22-60(58-57-26)15-4-3-14-59-21-27-17-34(59)42(68)56-31(6-5-11-50-44(46)47)40(66)51-20-36(62)54-33(19-37(63)64)41(67)53-27/h7,9,16,18,22,27,31,33-34,52H,3-6,8,10-15,17,19-21H2,1-2H3,(H,48,61)(H,49,69)(H,51,66)(H,53,67)(H,54,62)(H,55,65)(H,56,68)(H,63,64)(H4,46,47,50)/b29-18-/t27-,31-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of vitronectin binding to alphaVbeta3 in human EPC in presence of MnCl2 measured after 30 mins by crystal violet staining based cell adhes... |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233954
(CHEMBL4066412)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)c1 |r| Show InChI InChI=1S/C81H114FN27O19/c1-4-105(23-17-87-79(124)70-46(2)61(93-47(70)3)35-57-56-31-49(82)13-14-58(56)98-72(57)117)24-26-126-28-27-125-25-18-88-71(116)48-29-54(127-44-52-42-108(103-101-52)21-7-5-19-106-40-50-32-64(106)77(122)99-59(11-9-15-89-80(83)84)73(118)91-38-66(110)96-62(36-68(112)113)75(120)94-50)34-55(30-48)128-45-53-43-109(104-102-53)22-8-6-20-107-41-51-33-65(107)78(123)100-60(12-10-16-90-81(85)86)74(119)92-39-67(111)97-63(37-69(114)115)76(121)95-51/h13-14,29-31,34-35,42-43,50-51,59-60,62-65,93H,4-12,15-28,32-33,36-41,44-45H2,1-3H3,(H,87,124)(H,88,116)(H,91,118)(H,92,119)(H,94,120)(H,95,121)(H,96,110)(H,97,111)(H,98,117)(H,99,122)(H,100,123)(H,112,113)(H,114,115)(H4,83,84,89)(H4,85,86,90)/b57-35-/t50-,51-,59-,60-,62-,63-,64-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of vitronectin binding to alphaVbeta3 in human EPC in presence of MnCl2 measured after 30 mins by crystal violet staining based cell adhes... |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327751
((S)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/m1/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 | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327755
((S)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethy...)Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C19H26N8O3/c20-19(21)26-10-8-25(9-11-26)7-6-15-12-27(24-23-15)13-16(28)22-17(18(29)30)14-4-2-1-3-5-14/h1-5,12,17H,6-11,13H2,(H3,20,21)(H,22,28)(H,29,30)/t17-/m1/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 | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327751
((S)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327749
((S)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m1/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 | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233959
(CHEMBL4093704)Show SMILES NCCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2 |r| Show InChI InChI=1S/C20H35N9O6/c21-4-2-6-29-10-11-7-14(29)19(35)28-12(3-1-5-24-20(22)23)17(33)25-9-15(30)27-13(8-16(31)32)18(34)26-11/h11-14H,1-10,21H2,(H,25,33)(H,26,34)(H,27,30)(H,28,35)(H,31,32)(H4,22,23,24)/t11-,12-,13-,14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of vitronectin binding to alphaVbeta3 in human EPC in presence of MnCl2 measured after 30 mins by crystal violet staining based cell adhes... |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327753
((R)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethy...)Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N[C@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C19H26N8O3/c20-19(21)26-10-8-25(9-11-26)7-6-15-12-27(24-23-15)13-16(28)22-17(18(29)30)14-4-2-1-3-5-14/h1-5,12,17H,6-11,13H2,(H3,20,21)(H,22,28)(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
Similars
| Article PubMed
| n/a | n/a | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327750
((S)-3-{2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-22(21-20-11)9-12(23)19-13(14(24)25)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,23)(H,24,25)(H4,16,17,18)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327750
((S)-3-{2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-22(21-20-11)9-12(23)19-13(14(24)25)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,23)(H,24,25)(H4,16,17,18)/t13-/m1/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 | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327753
((R)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethy...)Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N[C@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C19H26N8O3/c20-19(21)26-10-8-25(9-11-26)7-6-15-12-27(24-23-15)13-16(28)22-17(18(29)30)14-4-2-1-3-5-14/h1-5,12,17H,6-11,13H2,(H3,20,21)(H,22,28)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327755
((S)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethy...)Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C19H26N8O3/c20-19(21)26-10-8-25(9-11-26)7-6-15-12-27(24-23-15)13-16(28)22-17(18(29)30)14-4-2-1-3-5-14/h1-5,12,17H,6-11,13H2,(H3,20,21)(H,22,28)(H,29,30)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327746
((R)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327752
((R)-3-{2-[4-(4-Carbamimidoylpiperazin-1-ylmethyl)[...)Show SMILES NC(=N)N1CCN(Cc2cn(CC(=O)N[C@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C18H24N8O3/c19-18(20)25-8-6-24(7-9-25)10-14-11-26(23-22-14)12-15(27)21-16(17(28)29)13-4-2-1-3-5-13/h1-5,11,16H,6-10,12H2,(H3,19,20)(H,21,27)(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327749
((S)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327748
((R)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327747
((R)-3-{2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-22(21-20-11)9-12(23)19-13(14(24)25)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,23)(H,24,25)(H4,16,17,18)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327746
((R)-3-[2-(4-Guanidinomethyl[1,2,3]triazol-1-yl)ace...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-21(20-19-10)8-11(22)18-12(13(23)24)9-4-2-1-3-5-9/h1-5,7,12H,6,8H2,(H,18,22)(H,23,24)(H4,15,16,17)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327745
(CHEMBL1257627 | [(2-{4-[2-(4-Carbamimidoylpiperazi...)Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N(CC(O)=O)c3ccccc3)nn2)CC1 Show InChI InChI=1S/C19H26N8O3/c20-19(21)25-10-8-24(9-11-25)7-6-15-12-26(23-22-15)13-17(28)27(14-18(29)30)16-4-2-1-3-5-16/h1-5,12H,6-11,13-14H2,(H3,20,21)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327744
(({2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl]acet...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1 Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-5-12-9-22(21-20-12)10-14(24)23(11-15(25)26)13-6-2-1-3-7-13/h1-3,6-7,9H,4-5,8,10-11H2,(H,25,26)(H4,17,18,19) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327743
(({2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]acety...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1 Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-21(20-19-11)9-13(23)22(10-14(24)25)12-4-2-1-3-5-12/h1-5,8H,6-7,9-10H2,(H,24,25)(H4,16,17,18) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50233955
(CHEMBL4095441)Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C50H72FN15O11/c1-4-64(15-12-54-49(74)44-30(2)39(57-31(44)3)24-36-35-22-32(51)9-10-37(35)60-45(36)70)16-17-75-18-19-76-20-21-77-29-34-28-66(63-62-34)14-6-5-13-65-27-33-23-41(65)48(73)61-38(8-7-11-55-50(52)53)46(71)56-26-42(67)59-40(25-43(68)69)47(72)58-33/h9-10,22,24,28,33,38,40-41,57H,4-8,11-21,23,25-27,29H2,1-3H3,(H,54,74)(H,56,71)(H,58,72)(H,59,67)(H,60,70)(H,61,73)(H,68,69)(H4,52,53,55)/b36-24-/t33-,38-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of vitronectin binding to alphaVbeta3 in human EPC in presence of MnCl2 measured after 30 mins by crystal violet staining based cell adhes... |
J Med Chem 60: 248-262 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327742
(CHEMBL1257508 | {[2-(4-Guanidinomethyl[1,2,3]triaz...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1 Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-20(19-18-10)8-12(22)21(9-13(23)24)11-4-2-1-3-5-11/h1-5,7H,6,8-9H2,(H,23,24)(H4,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327743
(({2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]acety...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1 Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-21(20-19-11)9-13(23)22(10-14(24)25)12-4-2-1-3-5-12/h1-5,8H,6-7,9-10H2,(H,24,25)(H4,16,17,18) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327744
(({2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl]acet...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1 Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-5-12-9-22(21-20-12)10-14(24)23(11-15(25)26)13-6-2-1-3-7-13/h1-3,6-7,9H,4-5,8,10-11H2,(H,25,26)(H4,17,18,19) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327754
((S)-3-{2-[4-(4-Carbamimidoylpiperazin-1-ylmethyl)[...)Show SMILES NC(=N)N1CCN(Cc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C18H24N8O3/c19-18(20)25-8-6-24(7-9-25)10-14-11-26(23-22-14)12-15(27)21-16(17(28)29)13-4-2-1-3-5-13/h1-5,11,16H,6-10,12H2,(H3,19,20)(H,21,27)(H,28,29)/t16-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327752
((R)-3-{2-[4-(4-Carbamimidoylpiperazin-1-ylmethyl)[...)Show SMILES NC(=N)N1CCN(Cc2cn(CC(=O)N[C@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C18H24N8O3/c19-18(20)25-8-6-24(7-9-25)10-14-11-26(23-22-14)12-15(27)21-16(17(28)29)13-4-2-1-3-5-13/h1-5,11,16H,6-10,12H2,(H3,19,20)(H,21,27)(H,28,29)/t16-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327745
(CHEMBL1257627 | [(2-{4-[2-(4-Carbamimidoylpiperazi...)Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N(CC(O)=O)c3ccccc3)nn2)CC1 Show InChI InChI=1S/C19H26N8O3/c20-19(21)25-10-8-24(9-11-25)7-6-15-12-26(23-22-15)13-17(28)27(14-18(29)30)16-4-2-1-3-5-16/h1-5,12H,6-11,13-14H2,(H3,20,21)(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327747
((R)-3-{2-[4-(2-Guanidinoethyl)[1,2,3]triazol-1-yl]...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C15H19N7O3/c16-15(17)18-7-6-11-8-22(21-20-11)9-12(23)19-13(14(24)25)10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2,(H,19,23)(H,24,25)(H4,16,17,18)/t13-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327754
((S)-3-{2-[4-(4-Carbamimidoylpiperazin-1-ylmethyl)[...)Show SMILES NC(=N)N1CCN(Cc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C18H24N8O3/c19-18(20)25-8-6-24(7-9-25)10-14-11-26(23-22-14)12-15(27)21-16(17(28)29)13-4-2-1-3-5-13/h1-5,11,16H,6-10,12H2,(H3,19,20)(H,21,27)(H,28,29)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50327742
(CHEMBL1257508 | {[2-(4-Guanidinomethyl[1,2,3]triaz...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1 Show InChI InChI=1S/C14H17N7O3/c15-14(16)17-6-10-7-20(19-18-10)8-12(22)21(9-13(23)24)11-4-2-1-3-5-11/h1-5,7H,6,8-9H2,(H,23,24)(H4,15,16,17) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50327748
((R)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/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 | 4.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 |
J Med Chem 53: 7119-28 (2010)
Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF |
More data for this Ligand-Target Pair | |