Found 538 hits with Last Name = 'styduhar' and Initial = 'e' 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 |
|---|
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466723
(US10800761, Example 42 | US10800761, Example 55 | ...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N |r| Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50406012
(CHEMBL5273201)Show InChI InChI=1S/C16H17N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h3-4,6-8H,5H2,1-2H3,(H4,17,18,20,21) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405947
(CHEMBL5274764)Show SMILES CCCNCCCCCC(CC)SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H36N6O3S/c1-3-9-23-10-7-5-6-8-14(4-2)31-11-15-17(28)18(29)21(30-15)27-13-26-16-19(22)24-12-25-20(16)27/h12-15,17-18,21,23,28-29H,3-11H2,1-2H3,(H2,22,24,25)/t14?,15-,17-,18-,21?/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50406009
(CHEMBL5284132)Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C19H25N5/c1-5-13-6-12(7-14-10-22-18(21)23-17(14)20)8-15-11(2)9-19(3,4)24-16(13)15/h6,8-10,24H,5,7H2,1-4H3,(H4,20,21,22,23) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM459443
(US10752635, Example 4, Peak 1 | US11492354, Exampl...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N7O2/c1-32-21-14(11-29-32)22(33-9-7-13(27)12-33)18(10-16(21)26)31-24(34)17-6-8-28-23(30-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10-11,13H,7,9,12,27H2,1-2H3,(H,31,34)/t13-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM459444
(US10752635, Example 4, Peak 2 | US11492354, Exampl...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N7O2/c1-32-12-14-21(31-32)16(26)10-18(22(14)33-9-7-13(27)11-33)30-24(34)17-6-8-28-23(29-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10,12-13H,7,9,11,27H2,1-2H3,(H,30,34)/t13-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466728
(US10800761, Example 47 | US11731958, Example 47)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(cnn1C)C#N |r| Show InChI InChI=1S/C28H27FN8O3/c1-36-26(17(12-30)13-33-36)16-6-7-21(23(10-16)37-14-18(31)11-19(37)15-38)35-28(39)22-8-9-32-27(34-22)25-20(29)4-3-5-24(25)40-2/h3-10,13,18-19,38H,11,14-15,31H2,1-2H3,(H,35,39)/t18-,19-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405896
(CHEMBL5281003)Show InChI InChI=1S/C8H7NO3S2/c9-14(11,12)8-3-5-1-2-6(10)4-7(5)13-8/h1-4,10H,(H2,9,11,12) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405897
(CHEMBL5277241)Show InChI InChI=1S/C11H11NO4S2/c1-7(13)16-6-8-2-3-10-9(4-8)5-11(17-10)18(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405898
(CHEMBL5283973)Show InChI InChI=1S/C11H14N2O2S2/c1-13(2)7-8-3-4-10-9(5-8)6-11(16-10)17(12,14)15/h3-6H,7H2,1-2H3,(H2,12,14,15) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405899
(CHEMBL5288420)Show InChI InChI=1S/C9H9NO3S2/c1-13-7-4-2-3-6-5-8(14-9(6)7)15(10,11)12/h2-5H,1H3,(H2,10,11,12) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466705
(US10800761, Example 24)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C |r| Show InChI InChI=1S/C29H27FN6O2/c1-17-21(5-4-11-31-17)18-8-9-23(25(13-18)36-16-19-14-20(36)15-33-19)35-29(37)24-10-12-32-28(34-24)27-22(30)6-3-7-26(27)38-2/h3-13,19-20,33H,14-16H2,1-2H3,(H,35,37)/t19-,20-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405892
(CHEMBL5267747)Show InChI InChI=1S/C13H16N2O3S2/c14-20(16,17)13-8-11-7-10(1-2-12(11)19-13)9-15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2,(H2,14,16,17) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM459445
(US10752635, Example 5, Peak 1 | US11492354, Exampl...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H]2CC[C@H]1CN2 |r| Show InChI InChI=1S/C26H25F2N7O2/c1-34-23-16(12-31-34)24(35-13-14-6-7-15(35)11-30-14)20(10-18(23)28)33-26(36)19-8-9-29-25(32-19)22-17(27)4-3-5-21(22)37-2/h3-5,8-10,12,14-15,30H,6-7,11,13H2,1-2H3,(H,33,36)/t14-,15-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466724
(US10800761, Example 43 | US11731958, Example 43)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cccnc1C |r| Show InChI InChI=1S/C29H29FN6O3/c1-17-21(5-4-11-32-17)18-8-9-23(25(13-18)36-15-19(31)14-20(36)16-37)35-29(38)24-10-12-33-28(34-24)27-22(30)6-3-7-26(27)39-2/h3-13,19-20,37H,14-16,31H2,1-2H3,(H,35,38)/t19-,20-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50406013
(CHEMBL5267188)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(CF)=CC(C)(CF)Nc12 |c:19| Show InChI InChI=1S/C18H21F2N5O/c1-18(9-20)6-12(7-19)13-4-10(5-14(26-2)15(13)25-18)3-11-8-23-17(22)24-16(11)21/h4-6,8,25H,3,7,9H2,1-2H3,(H4,21,22,23,24) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50406008
(CHEMBL5276026)Show InChI InChI=1S/C17H23N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7,9-10,22H,6,8H2,1-3H3,(H4,18,19,20,21) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405900
(CHEMBL5268277)Show InChI InChI=1S/C13H18N2O2S3/c1-15(2)5-6-18-9-10-3-4-12-11(7-10)8-13(19-12)20(14,16)17/h3-4,7-8H,5-6,9H2,1-2H3,(H2,14,16,17) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466704
(US10800761, Example 23 | US11731958, Example 23)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C |r| Show InChI InChI=1S/C29H26F2N6O2/c1-16-19(5-4-9-32-16)20-12-25(37-15-17-11-18(37)14-34-17)24(13-22(20)31)36-29(38)23-8-10-33-28(35-23)27-21(30)6-3-7-26(27)39-2/h3-10,12-13,17-18,34H,11,14-15H2,1-2H3,(H,36,38)/t17-,18-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM459439
(US10752635, Example 1, Peak 2 | US11492354, Exampl...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C25H23F2N7O2/c1-33-22-15(11-30-33)23(34-12-13-8-14(34)10-29-13)19(9-17(22)27)32-25(35)18-6-7-28-24(31-18)21-16(26)4-3-5-20(21)36-2/h3-7,9,11,13-14,29H,8,10,12H2,1-2H3,(H,32,35)/t13-,14-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466687
(US10800761, Example 6 | US11731958, Example 6 | US...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO |r| Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-17(28-22)23(32)29-18-9-13(24)5-6-19(18)30-11-14(26)10-15(30)12-31/h2-9,14-15,31H,10-12,26H2,1H3,(H,29,32)/t14-,15-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405895
(CHEMBL5279971)Show InChI InChI=1S/C8H8N2O2S2/c9-6-2-1-5-3-8(14(10,11)12)13-7(5)4-6/h1-4H,9H2,(H2,10,11,12) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466727
(US10800761, Example 46 | US11731958, Example 46)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ncccc1C#N |r| Show InChI InChI=1S/C29H26FN7O3/c1-40-25-6-2-5-21(30)26(25)28-34-11-9-23(35-28)29(39)36-22-8-7-17(27-18(14-31)4-3-10-33-27)12-24(22)37-15-19(32)13-20(37)16-38/h2-12,19-20,38H,13,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466682
(US10800761, Example 1 | US11731958, Example 1)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H]2C[C@@H]1CN2 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-32-20-4-2-3-16(25)21(20)22-26-8-7-17(28-22)23(31)29-18-9-13(24)5-6-19(18)30-12-14-10-15(30)11-27-14/h2-9,14-15,27H,10-12H2,1H3,(H,29,31)/t14-,15-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM459484
(US10752635, Example 35 | US11492354, Example 35)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](O)C[C@H]1CN |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-22-15(11-30-33)23(34-12-14(35)8-13(34)10-28)19(9-17(22)27)32-25(36)18-6-7-29-24(31-18)21-16(26)4-3-5-20(21)37-2/h3-7,9,11,13-14,35H,8,10,12,28H2,1-2H3,(H,32,36)/t13-,14-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM459441
(US10752635, Example 3, Peak 1 | US11492354, Exampl...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](N)C[C@H]1CO |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-22-15(10-30-33)23(34-11-13(28)8-14(34)12-35)19(9-17(22)27)32-25(36)18-6-7-29-24(31-18)21-16(26)4-3-5-20(21)37-2/h3-7,9-10,13-14,35H,8,11-12,28H2,1-2H3,(H,32,36)/t13-,14-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405893
(CHEMBL5271378)Show SMILES CC(C)(C)N1CC(COc2ccc3cc(sc3c2)S(N)(=O)=O)OC1=O Show InChI InChI=1S/C16H20N2O5S2/c1-16(2,3)18-8-12(23-15(18)19)9-22-11-5-4-10-6-14(25(17,20)21)24-13(10)7-11/h4-7,12H,8-9H2,1-3H3,(H2,17,20,21) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405894
(CHEMBL5269770)Show InChI InChI=1S/C8H8NO6PS2/c9-18(13,14)8-3-5-1-2-6(4-7(5)17-8)15-16(10,11)12/h1-4H,(H2,9,13,14)(H2,10,11,12)/p-2 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50405946
(CHEMBL5279231)Show SMILES CCCCCC(CC)SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H29N5O3S/c1-3-5-6-7-11(4-2)27-8-12-14(24)15(25)18(26-12)23-10-22-13-16(19)20-9-21-17(13)23/h9-12,14-15,18,24-25H,3-8H2,1-2H3,(H2,19,20,21)/t11?,12-,14-,15-,18?/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50406004
(CHEMBL5267479)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)N(C)c12 |c:18| Show InChI InChI=1S/C19H25N5O/c1-11-9-19(2,3)24(4)16-14(11)7-12(8-15(16)25-5)6-13-10-22-18(21)23-17(13)20/h7-10H,6H2,1-5H3,(H4,20,21,22,23) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50406010
(CHEMBL5277513)Show InChI InChI=1S/C17H23N5O/c1-10-4-5-22(2)15-13(10)7-11(8-14(15)23-3)6-12-9-20-17(19)21-16(12)18/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651462
(US11897891, Example 77)Show SMILES OCc1c(nc2c3cc(cnc3ccn12)-c1cnn(CC#N)c1)-c1c(Cl)cccc1Cl |(-7.84,-.58,;-6.69,.45,;-5.23,-.03,;-3.98,.88,;-2.74,-.03,;-3.21,-1.49,;-2.44,-2.83,;-.9,-2.83,;-.13,-4.16,;-.9,-5.5,;-2.44,-5.5,;-3.21,-4.16,;-4.75,-4.16,;-5.52,-2.83,;-4.75,-1.49,;1.41,-4.16,;2.31,-5.41,;3.78,-4.93,;3.78,-3.39,;5.02,-2.49,;4.86,-.95,;4.7,.58,;2.31,-2.92,;-3.98,2.42,;-5.32,3.19,;-6.65,2.42,;-5.32,4.73,;-3.98,5.5,;-2.65,4.73,;-2.65,3.19,;-1.31,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651463
(US11897891, Example 78)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc2ccn3c(CO)c(nc3c2c1)-c1c(Cl)cccc1Cl |(8.3,.23,;7.05,-.68,;7.21,-2.21,;5.97,-3.11,;4.56,-2.49,;4.4,-.95,;5.65,-.05,;3.32,-3.39,;1.85,-2.92,;.95,-4.16,;1.85,-5.41,;3.32,-4.93,;-.59,-4.16,;-1.36,-5.5,;-2.9,-5.5,;-3.67,-4.16,;-5.21,-4.16,;-5.98,-2.83,;-5.21,-1.49,;-5.69,-.03,;-7.15,.45,;-8.3,-.58,;-4.44,.88,;-3.2,-.03,;-3.67,-1.49,;-2.9,-2.83,;-1.36,-2.83,;-4.44,2.42,;-5.78,3.19,;-7.11,2.42,;-5.78,4.73,;-4.44,5.5,;-3.11,4.73,;-3.11,3.19,;-1.78,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651464
(US11897891, Example 79)Show SMILES CC(C)(CO)n1cc(cn1)-c1cnc2ccn3c(CO)c(nc3c2c1)-c1c(Cl)cccc1Cl |(5.87,-1.15,;5.1,-2.49,;4.02,-1.4,;6.51,-3.11,;7.76,-2.21,;3.86,-3.39,;2.39,-2.92,;1.49,-4.16,;2.39,-5.41,;3.86,-4.93,;-.05,-4.16,;-.82,-5.5,;-2.36,-5.5,;-3.13,-4.16,;-4.67,-4.16,;-5.44,-2.83,;-4.67,-1.49,;-5.15,-.03,;-6.61,.45,;-7.76,-.58,;-3.9,.88,;-2.66,-.03,;-3.13,-1.49,;-2.36,-2.83,;-.82,-2.83,;-3.9,2.42,;-5.24,3.19,;-6.57,2.42,;-5.24,4.73,;-3.9,5.5,;-2.57,4.73,;-2.57,3.19,;-1.23,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651465
(US11897891, Example 80)Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1cnc2ccn3c(CO)c(nc3c2c1)-c1c(Cl)cccc1Cl |(8.46,-2.83,;7.05,-2.21,;7.45,-.72,;5.96,-1.12,;5.81,-3.11,;4.4,-2.49,;3.15,-3.39,;1.69,-2.92,;.78,-4.16,;1.69,-5.41,;3.15,-4.93,;-.76,-4.16,;-1.53,-5.5,;-3.07,-5.5,;-3.84,-4.16,;-5.38,-4.16,;-6.15,-2.83,;-5.38,-1.49,;-5.85,-.03,;-7.32,.45,;-8.46,-.58,;-4.61,.88,;-3.36,-.03,;-3.84,-1.49,;-3.07,-2.83,;-1.53,-2.83,;-4.61,2.42,;-5.94,3.19,;-7.27,2.42,;-5.94,4.73,;-4.61,5.5,;-3.27,4.73,;-3.27,3.19,;-1.94,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651466
(US11897891, Example 81)Show SMILES OCc1c(nc2c3cc(cnc3ccn12)-c1cnn(CC(F)(F)F)c1)-c1c(Cl)cccc1Cl |(-7.84,-.58,;-6.69,.45,;-5.23,-.03,;-3.98,.88,;-2.74,-.03,;-3.21,-1.49,;-2.44,-2.83,;-.9,-2.83,;-.13,-4.16,;-.9,-5.5,;-2.44,-5.5,;-3.21,-4.16,;-4.75,-4.16,;-5.52,-2.83,;-4.75,-1.49,;1.41,-4.16,;2.31,-5.41,;3.78,-4.93,;3.78,-3.39,;5.02,-2.49,;4.86,-.95,;4.7,.58,;6.39,-.79,;3.33,-1.12,;2.31,-2.92,;-3.98,2.42,;-5.32,3.19,;-6.65,2.42,;-5.32,4.73,;-3.98,5.5,;-2.65,4.73,;-2.65,3.19,;-1.31,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651467
(US11897891, Example 82)Show SMILES OCc1c(nc2c3cc(cnc3ccn12)-c1cnn(CCN2CCOCC2)c1)-c1c(Cl)cccc1Cl |(-9.08,-.58,;-7.94,.45,;-6.47,-.03,;-5.23,.88,;-3.98,-.03,;-4.46,-1.49,;-3.69,-2.83,;-2.15,-2.83,;-1.38,-4.16,;-2.15,-5.5,;-3.69,-5.5,;-4.46,-4.16,;-6,-4.16,;-6.77,-2.83,;-6,-1.49,;.16,-4.16,;1.07,-5.41,;2.53,-4.93,;2.53,-3.39,;3.78,-2.49,;5.18,-3.11,;6.43,-2.21,;7.84,-2.83,;9.08,-1.93,;8.92,-.4,;7.52,.23,;6.27,-.68,;1.07,-2.92,;-5.23,2.42,;-6.56,3.19,;-7.9,2.42,;-6.56,4.73,;-5.23,5.5,;-3.89,4.73,;-3.89,3.19,;-2.56,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651468
(US11897891, Example 83)Show SMILES OCCn1cc(cn1)-c1cnc2ccn3c(CO)c(nc3c2c1)-c1c(Cl)cccc1Cl |(7.76,-2.21,;6.51,-3.11,;5.1,-2.49,;3.86,-3.39,;2.39,-2.92,;1.49,-4.16,;2.39,-5.41,;3.86,-4.93,;-.05,-4.16,;-.82,-5.5,;-2.36,-5.5,;-3.13,-4.16,;-4.67,-4.16,;-5.44,-2.83,;-4.67,-1.49,;-5.15,-.03,;-6.61,.45,;-7.76,-.58,;-3.9,.88,;-2.66,-.03,;-3.13,-1.49,;-2.36,-2.83,;-.82,-2.83,;-3.9,2.42,;-5.24,3.19,;-6.57,2.42,;-5.24,4.73,;-3.9,5.5,;-2.57,4.73,;-2.57,3.19,;-1.23,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651433
(US11897891, Example 48)Show SMILES Cc1c(nc2c3cc(cnc3ccn12)-c1cnn(c1)[C@H]1CC[C@H](O)CC1)-c1c(Cl)cccc1Cl |r,wU:22.26,wD:19.22,(-7.73,.45,;-6.26,-.03,;-5.02,.88,;-3.77,-.03,;-4.25,-1.49,;-3.48,-2.83,;-1.94,-2.83,;-1.17,-4.16,;-1.94,-5.5,;-3.48,-5.5,;-4.25,-4.16,;-5.79,-4.16,;-6.56,-2.83,;-5.79,-1.49,;.37,-4.16,;1.28,-5.41,;2.74,-4.93,;2.74,-3.39,;1.28,-2.92,;3.99,-2.49,;5.4,-3.11,;6.64,-2.21,;6.48,-.68,;7.73,.23,;5.07,-.05,;3.83,-.95,;-5.02,2.42,;-6.35,3.19,;-7.68,2.42,;-6.35,4.73,;-5.02,5.5,;-3.68,4.73,;-3.68,3.19,;-2.35,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651434
(US11897891, Example 49)Show SMILES Cc1c(nc2c3cc(cnc3ccn12)-c1cnn(c1)C1CCC(C)(CC1)C(O)=O)-c1c(Cl)cccc1Cl |(-8.39,.45,;-6.93,-.03,;-5.68,.88,;-4.44,-.03,;-4.91,-1.49,;-4.14,-2.83,;-2.6,-2.83,;-1.83,-4.16,;-2.6,-5.5,;-4.14,-5.5,;-4.91,-4.16,;-6.45,-4.16,;-7.22,-2.83,;-6.45,-1.49,;-.29,-4.16,;.61,-5.41,;2.08,-4.93,;2.08,-3.39,;.61,-2.92,;3.32,-2.49,;4.73,-3.11,;5.98,-2.21,;5.82,-.68,;6.21,.81,;4.41,-.05,;3.16,-.95,;7.3,-.28,;8.39,-1.37,;7.7,1.21,;-5.68,2.42,;-7.02,3.19,;-8.35,2.42,;-7.02,4.73,;-5.68,5.5,;-4.35,4.73,;-4.35,3.19,;-3.01,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651386
(US11897891, Example 4)Show SMILES COc1cc(OC)cc(c1)-c1c(nc2c3cc(cnc3ccn12)-c1cnn(C)c1)-c1ccccc1Cl | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651393
(US11897891, Example 8)Show SMILES Cn1cc(cn1)-c1cnc2ccn3c(C4CC4)c(nc3c2c1)-c1ccccc1Cl | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651398
(US11897891, Example 13)Show SMILES Cn1cc(cn1)-c1cnc2ccn3c(C4CC4)c(nc3c2n1)-c1ccccc1Cl | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651400
(US11897891, Example 15)Show SMILES CC(=O)N1CCC(C1)n1cc(cn1)-c1cnc2ccn3cc(nc3c2c1)-c1c(Cl)cccc1Cl | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651401
(US11897891, Example 16)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)n1cc(cn1)-c1cnc2ccn3c(C4CC4)c(nc3c2c1)-c1ccccc1Cl |r,wU:3.2,wD:6.9,(7.86,5.2,;6.37,4.8,;5.28,5.89,;5.97,3.32,;7.06,2.23,;6.66,.74,;5.18,.34,;4.09,1.43,;4.49,2.92,;4.78,-1.15,;3.25,-1.31,;2.93,-2.81,;4.26,-3.58,;5.41,-2.55,;1.59,-3.58,;1.59,-5.12,;.26,-5.89,;-1.07,-5.12,;-2.41,-5.89,;-3.74,-5.12,;-3.74,-3.58,;-4.89,-2.55,;-6.37,-2.95,;-7.86,-2.55,;-7.46,-4.04,;-4.26,-1.15,;-2.73,-1.31,;-2.41,-2.81,;-1.07,-3.58,;.26,-2.81,;-5.03,.19,;-6.57,.19,;-7.34,1.52,;-6.57,2.86,;-5.03,2.86,;-4.26,1.52,;-2.72,1.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651402
(US11897891, Example 17)Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)n1cc(cn1)-c1cnc2ccn3c(C4CC4)c(nc3c2c1)-c1ccccc1Cl |r,wU:4.3,wD:7.10,(8.41,3.72,;7.32,4.8,;7.71,6.29,;5.83,4.41,;5.43,2.92,;6.52,1.83,;6.12,.34,;4.63,-.06,;3.54,1.03,;3.94,2.52,;4.23,-1.54,;2.7,-1.71,;2.38,-3.21,;3.72,-3.98,;4.86,-2.95,;1.05,-3.98,;1.05,-5.52,;-.28,-6.29,;-1.62,-5.52,;-2.95,-6.29,;-4.29,-5.52,;-4.29,-3.98,;-5.43,-2.95,;-6.92,-3.35,;-8.41,-2.95,;-8.01,-4.44,;-4.8,-1.54,;-3.27,-1.71,;-2.95,-3.21,;-1.62,-3.98,;-.28,-3.21,;-5.57,-.21,;-7.11,-.21,;-7.88,1.12,;-7.11,2.46,;-5.57,2.46,;-4.8,1.12,;-3.26,1.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651406
(US11897891, Example 21)Show SMILES Cn1c(nc2c1ccc1ncc(nc21)-c1cnn(c1)C1CC(O)C1)-c1c(F)cccc1Cl |(-5.96,-1.97,;-4.47,-1.57,;-3.85,-.17,;-2.31,-.33,;-1.99,-1.83,;-3.33,-2.6,;-3.33,-4.14,;-1.99,-4.91,;-.66,-4.14,;.67,-4.91,;2.01,-4.14,;2.01,-2.6,;.67,-1.83,;-.66,-2.6,;3.34,-1.83,;4.67,-2.6,;5.82,-1.57,;5.19,-.17,;3.66,-.33,;5.59,1.32,;6.93,2.09,;6.16,3.43,;6.55,4.91,;4.82,2.66,;-4.62,1.17,;-6.16,1.17,;-6.93,-.17,;-6.93,2.5,;-6.16,3.84,;-4.62,3.84,;-3.85,2.5,;-2.31,2.5,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651407
(US11897891, Example 22)Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)-c1cnc2ccc3n(C)c(nc3c2n1)-c1c(F)cccc1Cl |(9.8,2.31,;8.47,3.08,;8.47,4.62,;7.13,2.31,;7.13,.77,;5.8,,;4.47,.77,;4.47,2.31,;5.8,3.08,;3.13,,;1.8,.77,;.47,,;.47,-1.54,;1.8,-2.31,;3.13,-1.54,;-.87,-2.31,;-.87,-3.85,;-2.2,-4.62,;-3.54,-3.85,;-4.87,-4.62,;-6.2,-3.85,;-6.2,-2.31,;-7.35,-1.28,;-8.83,-1.68,;-6.72,.13,;-5.19,-.03,;-4.87,-1.54,;-3.54,-2.31,;-2.2,-1.54,;-7.49,1.46,;-9.03,1.46,;-9.8,.13,;-9.8,2.79,;-9.03,4.13,;-7.49,4.13,;-6.72,2.79,;-5.18,2.79,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651410
(US11897891, Example 25)Show SMILES Cc1c(nc2c3cc(cnc3ccn12)-c1cnn(c1)[C@H]1CCN(C1)C(=O)CO)-c1c(Cl)cccc1C(F)(F)F |r,wD:19.22,(-7.82,.45,;-6.35,-.03,;-5.11,.88,;-3.86,-.03,;-4.34,-1.49,;-3.57,-2.83,;-2.03,-2.83,;-1.26,-4.16,;-2.03,-5.5,;-3.57,-5.5,;-4.34,-4.16,;-5.88,-4.16,;-6.65,-2.83,;-5.88,-1.49,;.28,-4.16,;1.19,-5.41,;2.65,-4.93,;2.65,-3.39,;1.19,-2.92,;3.9,-2.49,;5.36,-2.96,;6.27,-1.72,;5.36,-.47,;3.9,-.95,;5.84,.99,;4.81,2.14,;7.34,1.31,;7.82,2.78,;-5.11,2.42,;-6.44,3.19,;-7.78,2.42,;-6.44,4.73,;-5.11,5.5,;-3.78,4.73,;-3.73,3.16,;-2.39,2.39,;-1.06,1.62,;-1.62,3.72,;-3.16,1.05,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 3
(Homo sapiens (Human)) | BDBM651411
(US11897891, Example 26)Show SMILES Cc1c(nc2c3cc(cnc3ccn12)-c1cnn(c1)[C@H]1CCN(C1)C(=O)CO)-c1c(C)cccc1C |r,wD:19.22,(-7.82,.45,;-6.35,-.03,;-5.11,.88,;-3.86,-.03,;-4.34,-1.49,;-3.57,-2.83,;-2.03,-2.83,;-1.26,-4.16,;-2.03,-5.5,;-3.57,-5.5,;-4.34,-4.16,;-5.88,-4.16,;-6.65,-2.83,;-5.88,-1.49,;.28,-4.16,;1.19,-5.41,;2.65,-4.93,;2.65,-3.39,;1.19,-2.92,;3.9,-2.49,;5.36,-2.96,;6.27,-1.72,;5.36,-.47,;3.9,-.95,;5.84,.99,;4.81,2.14,;7.34,1.31,;7.82,2.78,;-5.11,2.42,;-6.44,3.19,;-7.78,2.42,;-6.44,4.73,;-5.11,5.5,;-3.78,4.73,;-3.78,3.19,;-2.44,2.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this
Ligand-Target Pair | |
Search and Browse
