Found 17 hits with Last Name = 'barbini' 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 |
|---|
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50240586
(CHEMBL4098982)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)c1ccccc1)CC2)C(=O)N[C@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C45H55N9O5/c1-3-37(46-2)42(56)52-40-33(28-50-41(55)32-16-8-5-9-17-32)20-21-36-22-23-38(54(36)45(40)59)43(57)51-39(31-14-6-4-7-15-31)44(58)49-26-27-53(29-34-18-10-12-24-47-34)30-35-19-11-13-25-48-35/h4-19,24-25,33,36-40,46H,3,20-23,26-30H2,1-2H3,(H,49,58)(H,50,55)(H,51,57)(H,52,56)/t33-,36+,37+,38+,39+,40+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu... |
Bioorg Med Chem Lett 27: 2336-2344 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM32609
(1-aza-2-oxobicyclo[5.3.0]decane scaffold, 36b)Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H43N5O4/c1-3-29(37-2)34(43)40-32-27(23-38-33(42)26-17-11-6-12-18-26)19-20-28-21-22-30(41(28)36(32)45)35(44)39-31(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h4-18,27-32,37H,3,19-23H2,1-2H3,(H,38,42)(H,39,44)(H,40,43)/t27-,28+,29+,30+,32+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu... |
Bioorg Med Chem Lett 27: 2336-2344 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50240587
(CHEMBL4070316)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H57N9O5/c1-3-38(47-2)44(58)53-43-34(28-51-40(56)24-27-50-41(57)31-54(29-35-18-10-12-25-48-35)30-36-19-11-13-26-49-36)20-21-37-22-23-39(55(37)46(43)60)45(59)52-42(32-14-6-4-7-15-32)33-16-8-5-9-17-33/h4-19,25-26,34,37-39,42-43,47H,3,20-24,27-31H2,1-2H3,(H,50,57)(H,51,56)(H,52,59)(H,53,58)/t34-,37+,38+,39+,43+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu... |
Bioorg Med Chem Lett 27: 2336-2344 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50240589
(CHEMBL4091245)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C43H52N8O4/c1-3-36(44-2)41(53)49-40-32(26-47-38(52)29-50(27-33-18-10-12-24-45-33)28-34-19-11-13-25-46-34)20-21-35-22-23-37(51(35)43(40)55)42(54)48-39(30-14-6-4-7-15-30)31-16-8-5-9-17-31/h4-19,24-25,32,35-37,39-40,44H,3,20-23,26-29H2,1-2H3,(H,47,52)(H,48,54)(H,49,53)/t32-,35+,36+,37+,40+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu... |
Bioorg Med Chem Lett 27: 2336-2344 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50240592
(CHEMBL4097534)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)COCCOCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C49H63N9O7/c1-3-41(50-2)47(61)56-46-37(20-21-40-22-23-42(58(40)49(46)63)48(62)55-45(35-14-6-4-7-15-35)36-16-8-5-9-17-36)30-54-44(60)34-65-29-28-64-27-26-53-43(59)33-57(31-38-18-10-12-24-51-38)32-39-19-11-13-25-52-39/h4-19,24-25,37,40-42,45-46,50H,3,20-23,26-34H2,1-2H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t37-,40+,41+,42+,46+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu... |
Bioorg Med Chem Lett 27: 2336-2344 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50240588
(CHEMBL4079500)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CCCCCCCCCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H73N9O5/c1-3-46(55-2)52(66)61-51-42(29-30-45-31-32-47(63(45)54(51)68)53(67)60-50(40-22-12-10-13-23-40)41-24-14-11-15-25-41)36-59-48(64)28-16-8-6-4-5-7-9-19-35-58-49(65)39-62(37-43-26-17-20-33-56-43)38-44-27-18-21-34-57-44/h10-15,17-18,20-27,33-34,42,45-47,50-51,55H,3-9,16,19,28-32,35-39H2,1-2H3,(H,58,65)(H,59,64)(H,60,67)(H,61,66)/t42-,45+,46+,47+,51+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Scienze e Tecnologie Molecolari (ISTM)
Curated by ChEMBL
| Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu... |
Bioorg Med Chem Lett 27: 2336-2344 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B |
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408492
(CHEMBL5269133)Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(COc3ccc(cc3)C(C)(C)C)cc12 Show InChI InChI=1S/C28H34N2OS/c1-28(2,3)22-12-14-23(15-13-22)31-20-21-11-16-27-25(19-21)30(18-8-17-29(4)5)24-9-6-7-10-26(24)32-27/h6-7,9-16,19H,8,17-18,20H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408498
(CHEMBL5270983)Show InChI InChI=1S/C18H21N3OS/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)23-18-9-8-14(13-19-22)12-16(18)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 518 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408502
(CHEMBL5289168)Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C23H19ClN2O2S/c24-17-10-11-21-19(14-17)26(18-8-4-5-9-20(18)29-21)23(28)13-12-22(27)25-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 729 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408500
(CHEMBL5278611)Show InChI InChI=1S/C19H21ClN2OS/c1-13(23)14-5-7-18-16(11-14)22(10-4-9-21(2)3)17-12-15(20)6-8-19(17)24-18/h5-8,11-12H,4,9-10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 972 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408497
(CHEMBL5287933)Show InChI InChI=1S/C18H19ClN2OS/c1-3-20(4-2)12-18(22)21-14-7-5-6-8-16(14)23-17-10-9-13(19)11-15(17)21/h5-11H,3-4,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408493
(CHEMBL5285672)Show InChI InChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408496
(CHEMBL5291421)Show InChI InChI=1S/C19H21ClN2OS/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408495
(CHEMBL5267130)Show InChI InChI=1S/C16H13NO2S/c1-10(18)12-7-8-16-14(9-12)17(11(2)19)13-5-3-4-6-15(13)20-16/h3-9H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408499
(CHEMBL5276647)Show InChI InChI=1S/C18H20N2O2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)23-17-9-8-13(18(21)22)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408494
(CHEMBL5267106)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)11-6-12-20-14-8-3-4-10-16(14)21-17-13(18)7-5-9-15(17)20/h3-5,7-10H,6,11-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408501
(CHEMBL5283083)Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NNc3ccccc3)c2c1 Show InChI InChI=1S/C22H18ClN3O2S/c23-15-10-11-20-18(14-15)26(17-8-4-5-9-19(17)29-20)22(28)13-12-21(27)25-24-16-6-2-1-3-7-16/h1-11,14,24H,12-13H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 9.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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