Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000010 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)) | BDBM50239157
(CHEMBL4070666)Show SMILES CC(C)[C@H]1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50239158
(CHEMBL4079738)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r| Show InChI InChI=1S/C47H74N18O20/c1-22(2)12-27-45(84)65-11-5-7-28(65)43(82)61-25(8-9-37(75)76)41(80)63-39(23(3)66)44(83)64-47(85)58-19-34(72)55-17-32(70)53-15-30(68)51-14-29(67)52-16-31(69)54-18-33(71)56-20-35(73)59-24(6-4-10-50-46(48)49)40(79)57-21-36(74)60-26(13-38(77)78)42(81)62-27/h22-28,39,66H,4-21H2,1-3H3,(H,51,68)(H,52,67)(H,53,70)(H,54,69)(H,55,72)(H,56,71)(H,57,79)(H,59,73)(H,60,74)(H,61,82)(H,62,81)(H,63,80)(H,75,76)(H,77,78)(H4,48,49,50)(H2,58,64,83,85)/t23-,24+,25+,26+,27+,28+,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50239153
(CHEMBL4085518)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C59H97N23O26/c1-27(2)15-34(56(106)82-14-6-9-36(82)54(104)79-31(10-11-45(93)94)51(101)81-48(28(3)84)55(105)73-21-40(88)70-23-42(90)77-35(26-83)57(107)108)80-53(103)33(17-47(97)98)76-44(92)25-72-50(100)30(8-5-13-66-59(63)64)78-52(102)32(16-46(95)96)75-43(91)24-71-49(99)29(7-4-12-65-58(61)62)74-41(89)22-69-39(87)20-68-38(86)19-67-37(85)18-60/h27-36,48,83-84H,4-26,60H2,1-3H3,(H,67,85)(H,68,86)(H,69,87)(H,70,88)(H,71,99)(H,72,100)(H,73,105)(H,74,89)(H,75,91)(H,76,92)(H,77,90)(H,78,102)(H,79,104)(H,80,103)(H,81,101)(H,93,94)(H,95,96)(H,97,98)(H,107,108)(H4,61,62,65)(H4,63,64,66)/t28-,29+,30+,31+,32+,33+,34+,35+,36+,48+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50239154
(CHEMBL4097763)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r| Show InChI InChI=1S/C52H84N20O21/c1-24(2)15-31-50(93)72-14-6-9-32(72)48(91)69-28(10-11-39(80)81)45(88)71-42(25(3)73)49(92)64-20-35(76)60-18-33(74)59-19-34(75)61-21-36(77)65-26(7-4-12-57-51(53)54)43(86)62-22-37(78)66-29(16-40(82)83)46(89)68-27(8-5-13-58-52(55)56)44(87)63-23-38(79)67-30(17-41(84)85)47(90)70-31/h24-32,42,73H,4-23H2,1-3H3,(H,59,74)(H,60,76)(H,61,75)(H,62,86)(H,63,87)(H,64,92)(H,65,77)(H,66,78)(H,67,79)(H,68,89)(H,69,91)(H,70,90)(H,71,88)(H,80,81)(H,82,83)(H,84,85)(H4,53,54,57)(H4,55,56,58)/t25-,26+,27+,28+,29+,30+,31+,32+,42+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50239156
(CHEMBL4067904)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C65H108N26O28/c1-29(2)18-38(61(117)91-17-7-11-40(91)59(115)88-34(12-13-47(100)101)55(111)90-51(30(3)93)60(116)80-23-42(95)76-24-43(96)85-39(28-92)62(118)119)89-58(114)37(21-50(106)107)84-46(99)27-79-54(110)33(10-6-16-75-65(71)72)87-57(113)36(20-49(104)105)83-45(98)26-78-53(109)32(9-5-15-74-64(69)70)86-56(112)35(19-48(102)103)82-44(97)25-77-52(108)31(81-41(94)22-66)8-4-14-73-63(67)68/h29-40,51,92-93H,4-28,66H2,1-3H3,(H,76,95)(H,77,108)(H,78,109)(H,79,110)(H,80,116)(H,81,94)(H,82,97)(H,83,98)(H,84,99)(H,85,96)(H,86,112)(H,87,113)(H,88,115)(H,89,114)(H,90,111)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,118,119)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,51+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50239159
(CHEMBL4090048)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C53H86N20O24/c1-25(2)12-30(51(95)73-11-5-7-32(73)49(93)70-28(8-9-43(86)87)47(91)72-45(26(3)75)50(94)66-20-39(82)64-22-41(84)69-31(24-74)52(96)97)71-48(92)29(13-44(88)89)68-42(85)23-65-46(90)27(6-4-10-57-53(55)56)67-40(83)21-63-38(81)19-62-37(80)18-61-36(79)17-60-35(78)16-59-34(77)15-58-33(76)14-54/h25-32,45,74-75H,4-24,54H2,1-3H3,(H,58,76)(H,59,77)(H,60,78)(H,61,79)(H,62,80)(H,63,81)(H,64,82)(H,65,90)(H,66,94)(H,67,83)(H,68,85)(H,69,84)(H,70,93)(H,71,92)(H,72,91)(H,86,87)(H,88,89)(H,96,97)(H4,55,56,57)/t26-,27+,28+,29+,30+,31+,32+,45+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50239155
(CHEMBL4068971)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r| Show InChI InChI=1S/C58H95N23O23/c1-26(2)18-35-55(104)81-17-7-11-36(81)53(102)78-31(12-13-41(87)88)49(98)80-45(27(3)82)54(103)71-25-37(83)72-28(8-4-14-65-56(59)60)46(95)68-22-38(84)73-32(19-42(89)90)50(99)76-29(9-5-15-66-57(61)62)47(96)69-23-39(85)74-33(20-43(91)92)51(100)77-30(10-6-16-67-58(63)64)48(97)70-24-40(86)75-34(21-44(93)94)52(101)79-35/h26-36,45,82H,4-25H2,1-3H3,(H,68,95)(H,69,96)(H,70,97)(H,71,103)(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,76,99)(H,77,100)(H,78,102)(H,79,101)(H,80,98)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,45+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50054481
((S)-2-[2-((S)-2-{(S)-2-[2-((S)-2-Amino-5-guanidino...)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C24H42N12O11/c25-11(3-1-5-30-23(26)27)19(43)32-9-15(37)34-13(7-17(39)40)21(45)36-12(4-2-6-31-24(28)29)20(44)33-10-16(38)35-14(22(46)47)8-18(41)42/h11-14H,1-10,25H2,(H,32,43)(H,33,44)(H,34,37)(H,35,38)(H,36,45)(H,39,40)(H,41,42)(H,46,47)(H4,26,27,30)(H4,28,29,31)/t11-,12-,13-,14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangnan University
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 h... |
Bioorg Med Chem Lett 27: 1911-1913 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.035
BindingDB Entry DOI: 10.7270/Q2HT2RGP |
More data for this
Ligand-Target Pair | |
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