Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50134199
(CHEMBL3735057)Show SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45+/m0/s1 | PDB
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| CHEMBL
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| Article
PubMed
| 627 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50134200
(CHEMBL3735405)Show SMILES NCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C42H46Cl2N8O4/c43-34-14-9-15-35(44)33(34)27-52-26-29(25-51-20-7-8-21-51)32-23-31(16-17-38(32)52)48-42(56)46-24-39(53)49-36(18-19-45)40(54)50-37(22-28-10-3-1-4-11-28)41(55)47-30-12-5-2-6-13-30/h1-6,9-17,23,26,36-37H,7-8,18-22,24-25,27,45H2,(H,47,55)(H,49,53)(H,50,54)(H2,46,48,56)/t36-,37+/m0/s1 | PDB
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| 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50134198
(CHEMBL1684609)Show InChI InChI=1S/C18H21FN4O/c1-2-3-4-9-20-18-22-16-8-7-13(19)11-15(16)17(23-18)21-12-14-6-5-10-24-14/h5-8,10-11H,2-4,9,12H2,1H3,(H2,20,21,22,23) | PDB
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| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu... |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50440868
(CHEMBL2431617)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |r,c:35| Show InChI InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50134197
(CHEMBL3735493)Show SMILES Cc1ccoc1CNc1nc(Oc2cc(Cl)cc(Cl)c2)nc2ccc(F)cc12 Show InChI InChI=1S/C20H14Cl2FN3O2/c1-11-4-5-27-18(11)10-24-19-16-9-14(23)2-3-17(16)25-20(26-19)28-15-7-12(21)6-13(22)8-15/h2-9H,10H2,1H3,(H,24,25,26) | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu... |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50134196
(CHEMBL3736126)Show SMILES COc1ccc2nc(Oc3ccc(Cl)cc3Cl)nc(NCc3occc3C)c2c1 Show InChI InChI=1S/C21H17Cl2N3O3/c1-12-7-8-28-19(12)11-24-20-15-10-14(27-2)4-5-17(15)25-21(26-20)29-18-6-3-13(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,25,26) | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu... |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50134201
(CHEMBL3734977)Show InChI InChI=1S/C15H29N3O2/c1-13(2)12-15(20)18-10-8-17(9-11-18)14(19)6-4-3-5-7-16/h13H,3-12,16H2,1-2H3 | PDB
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CHEMBL
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PubMed
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells |
Bioorg Med Chem 23: 7717-27 (2015)
Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3 |
More data for this
Ligand-Target Pair | |
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