Found 150 hits Enz. Inhib. hit(s) with all data for entry = 50018243 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 |
|---|
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408387
(CHEMBL5268482)Show SMILES CC(O)C(NC(C)=O)C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N1C2CCCCC2CC1C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C36H45N5O6/c1-22(42)33(37-23(2)43)34(45)38-29(20-28-18-26-14-8-10-16-30(26)40(28)24(3)44)35(46)41-31-17-11-9-15-27(31)19-32(41)36(47)39(4)21-25-12-6-5-7-13-25/h5-8,10,12-14,16,18,22,27,29,31-33,42H,9,11,15,17,19-21H2,1-4H3,(H,37,43)(H,38,45)/t22?,27?,29-,31?,32?,33?/m1/s1 | MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408386
(CHEMBL5287343)Show SMILES CC(O)C(NC(C)=O)C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1 Show InChI InChI=1S/C37H43N5O6/c1-23(28-16-10-7-11-17-28)41(5)37(48)32(20-27-14-8-6-9-15-27)40-35(46)31(39-36(47)34(24(2)43)38-25(3)44)22-30-21-29-18-12-13-19-33(29)42(30)26(4)45/h6-19,21,23-24,31-32,34,43H,20,22H2,1-5H3,(H,38,44)(H,39,47)(H,40,46)/t23?,24?,31-,32?,34?/m1/s1 | MMDB
KEGG
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| CHEMBL
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PC sid
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Similars
| | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50411638
(CHEMBL404371)Show SMILES OC(=O)CC1CCC(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc12 Show InChI InChI=1S/C28H27N5O4/c34-25(17-33-24-8-4-1-5-21(24)19(15-27(36)37)11-14-26(33)35)29-16-18-9-12-20(13-10-18)30-28-31-22-6-2-3-7-23(22)32-28/h1-10,12-13,19H,11,14-17H2,(H,29,34)(H,36,37)(H2,30,31,32) | MMDB
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Similars
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
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Similars
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
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| PDB
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo... |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | PDB
MMDB
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| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | PDB
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| PDB
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | PDB
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| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | PDB
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| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency on BK-induced contraction of guinea pig ileum longitudinal smooth muscle |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50256044
(5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1| Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,18H,5-6H2,(H,17,21)(H3,16,19,20,22) | PDB
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PC sid
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| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM7266
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20) | PDB
MMDB
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PC cid
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| | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | PDB
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| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408186
(CHEMBL5272006)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1c[nH]c(SCCc2cnc[nH]2)n1 Show InChI InChI=1S/C14H13N5O2S/c20-19(21)12-3-1-10(2-4-12)13-8-16-14(18-13)22-6-5-11-7-15-9-17-11/h1-4,7-9H,5-6H2,(H,15,17)(H,16,18) | MMDB
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Similars
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat UT receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408185
(CHEMBL5265856)Show InChI InChI=1S/C15H15N5OS/c16-14(21)11-3-1-10(2-4-11)13-8-18-15(20-13)22-6-5-12-7-17-9-19-12/h1-4,7-9H,5-6H2,(H2,16,21)(H,17,19)(H,18,20) | MMDB
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Similars
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat UT receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50256003
(4-[2-Amino-5-oxo-3,5-dihydro-imidazol-(4)-ylidene]...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3c(Br)csc3c12 |w:3.2,t:1| Show InChI InChI=1S/C13H10BrN5O2S/c14-5-3-22-10-6-4(7-12(21)19-13(15)18-7)1-2-16-11(20)9(6)17-8(5)10/h3,17H,1-2H2,(H,16,20)(H3,15,18,19,21) | PDB
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Similars
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363648
(CHEMBL1947252)Show SMILES COc1ccc(cc1OC)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:20.21,c:27| Show InChI InChI=1S/C19H19N5O4/c1-27-13-4-3-9(7-14(13)28-2)12-8-11-10(15-18(26)24-19(20)23-15)5-6-21-17(25)16(11)22-12/h3-4,7-8,22H,5-6H2,1-2H3,(H,21,25)(H3,20,23,24,26) | PDB
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| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | MMDB
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| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulation |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| PDB
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363646
(CHEMBL1947250)Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C17H15N5O2/c18-17-21-13(16(24)22-17)10-6-7-19-15(23)14-11(10)8-12(20-14)9-4-2-1-3-5-9/h1-5,8,20H,6-7H2,(H,19,23)(H3,18,21,22,24) | PDB
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Similars
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM7266
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20) | PDB
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| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | MMDB
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| | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | PDB
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| | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
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More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| PDB
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM7266
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20) | PDB
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TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM7263
(9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...)Show InChI InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21) | MMDB
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TBA
| Assay Description
Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulation |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM7263
(9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...)Show InChI InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21) | MMDB
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TBA
| Assay Description
Antagonist activity at human M3 receptor assessed as inhibition of carbachol binding |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | MMDB
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TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
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More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
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TBA
| Assay Description
Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati... |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363649
(CHEMBL1947253)Show SMILES O=C1N=C(NCc2ccccc2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.16,t:2| Show InChI InChI=1S/C24H21N5O2/c30-22-21-18(13-19(27-21)16-9-5-2-6-10-16)17(11-12-25-22)20-23(31)29-24(28-20)26-14-15-7-3-1-4-8-15/h1-10,13,27H,11-12,14H2,(H,25,30)(H2,26,28,29,31) | PDB
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TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50256004
(4-[2-Amino-5-oxo-3,5-dihydro-imidazol-(4)-ylidene]...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3c(csc3c12)C#N |w:3.2,t:1| Show InChI InChI=1S/C14H10N6O2S/c15-3-5-4-23-11-7-6(9-13(22)20-14(16)19-9)1-2-17-12(21)10(7)18-8(5)11/h4,18H,1-2H2,(H,17,21)(H3,16,19,20,22) | PDB
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TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | MMDB
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| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | MMDB
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| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulation |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | MMDB
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TBA
| Assay Description
Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulation |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM50408385
(CHEMBL5280328)Show SMILES CC(O)C(NC(C)=O)C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C36H41N5O6/c1-23(42)33(37-24(2)43)35(46)38-30(21-29-20-28-17-11-12-18-32(28)41(29)25(3)44)34(45)39-31(19-26-13-7-5-8-14-26)36(47)40(4)22-27-15-9-6-10-16-27/h5-18,20,23,30-31,33,42H,19,21-22H2,1-4H3,(H,37,43)(H,38,46)(H,39,45)/t23?,30-,31?,33?/m1/s1 | PDB
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TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | MMDB
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| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at rat UT receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | PDB
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| | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50256043
((Z)-3-bromohymenialdisine | CHEMBL480350 | Hymenia...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1| Show InChI InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20) | MMDB
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TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408140
(CHEMBL1233473)Show SMILES OC(=O)[C@@H]1CCC[C@@H]2OCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H24N2O5S/c22-17(15(27)11-12-5-2-1-3-6-12)20-13-9-10-26-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,27H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1 | MMDB
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TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | MMDB
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TBA
| Assay Description
Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulation |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408184
(CHEMBL5280645)Show SMILES [O-][N+](=O)c1cccc(c1)-c1c[nH]c(SCCc2cnc[nH]2)n1 Show InChI InChI=1S/C14H13N5O2S/c20-19(21)12-3-1-2-10(6-12)13-8-16-14(18-13)22-5-4-11-7-15-9-17-11/h1-3,6-9H,4-5H2,(H,15,17)(H,16,18) | MMDB
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TBA
| Assay Description
Antagonist activity at muscarinic receptor M2 assessed as contraction of electrically-stimulated guinea pig left atria |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408177
(CHEMBL5271328)Show InChI InChI=1S/C14H13BrN4S/c15-11-3-1-2-10(6-11)13-8-17-14(19-13)20-5-4-12-7-16-9-18-12/h1-3,6-9H,4-5H2,(H,16,18)(H,17,19) | MMDB
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TBA
| Assay Description
Antagonist potency on BK-induced contraction of guinea pig ileum longitudinal smooth muscle |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50256043
((Z)-3-bromohymenialdisine | CHEMBL480350 | Hymenia...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1| Show InChI InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20) | PDB
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TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | MMDB
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TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | MMDB
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TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | MMDB
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| | n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM7336
(13-bromo-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...)Show InChI InChI=1S/C14H9BrN2OS/c15-7-1-2-10-8(5-7)9-6-12(18)16-11-3-4-19-14(11)13(9)17-10/h1-5,17H,6H2,(H,16,18) | MMDB
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| | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity against adrenergic alpha-1A receptor in rat prostatic vas deferens assessed as inhibition of noradrenaline-induced contraction |
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Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363653
(CHEMBL1944822)Show SMILES CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4| Show InChI InChI=1S/C20H21N5O2/c1-2-9-22-20-24-16(19(27)25-20)13-8-10-21-18(26)17-14(13)11-15(23-17)12-6-4-3-5-7-12/h3-7,11,23H,2,8-10H2,1H3,(H,21,26)(H2,22,24,25,27) | PDB
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Similars
| | n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363654
(CHEMBL1944823)Show SMILES CNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:8.19,t:2| Show InChI InChI=1S/C18H17N5O2/c1-19-18-22-14(17(25)23-18)11-7-8-20-16(24)15-12(11)9-13(21-15)10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,20,24)(H2,19,22,23,25) | PDB
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| | n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50408182
(CHEMBL5285766)Show InChI InChI=1S/C18H22N4OS/c1-2-3-9-23-16-6-4-14(5-7-16)17-12-20-18(22-17)24-10-8-15-11-19-13-21-15/h4-7,11-13H,2-3,8-10H2,1H3,(H,19,21)(H,20,22) | MMDB
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| | n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at putative muscarinic receptor M4 assessed as contraction of electrically-stimulated guinea pig lung strips |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50256044
(5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1| Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,18H,5-6H2,(H,17,21)(H3,16,19,20,22) | MMDB
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| | n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at muscarinic receptor M2 assessed as contraction of electrically-stimulated guinea pig left atria |
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More data for this
Ligand-Target Pair | |
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