Found 2232 hits with Last Name = 'liang' and Initial = 'g' 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085393
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085402
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylca...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1 Show InChI InChI=1S/C23H21N5O3/c24-21(25)18-7-8-20(29)17(12-18)2-1-10-28-23(31)15-5-3-14(4-6-15)16-9-11-27-19(13-16)22(26)30/h1-9,11-13,29H,10H2,(H3,24,25)(H2,26,30)(H,28,31)/b2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123781
(4-(4-Amino-quinazolin-7-ylmethyl)-1-(6-chloro-benz...)Show SMILES Nc1ncnc2cc(CN3CCN(C(=O)C3)S(=O)(=O)c3cc4ccc(Cl)cc4s3)ccc12 Show InChI InChI=1S/C21H18ClN5O3S2/c22-15-3-2-14-8-20(31-18(14)9-15)32(29,30)27-6-5-26(11-19(27)28)10-13-1-4-16-17(7-13)24-12-25-21(16)23/h1-4,7-9,12H,5-6,10-11H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 10 mg/kg peroral dose |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12596
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1 |w:5.4| Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 5 mg/kg peroral dose |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085405
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C23H22N4O4S/c24-22(25)18-11-12-20(28)17(14-18)4-3-13-27-23(29)16-9-7-15(8-10-16)19-5-1-2-6-21(19)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-3+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12595
(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)Show SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 10 mg/kg peroral dose |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123766
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1-met...)Show SMILES Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C21H19ClN4O3S2/c1-24-17(8-15-11-23-5-4-18(15)24)12-25-6-7-26(13-20(25)27)31(28,29)21-9-14-2-3-16(22)10-19(14)30-21/h2-5,8-11H,6-7,12-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123788
(4-(6-Bromo-benzo[b]thiophene-2-sulfonyl)-1-(1H-pyr...)Show SMILES Brc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17BrN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123767
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123782
(4-(6-Chloro-thieno[2,3-b]pyridine-2-sulfonyl)-1-(1...)Show SMILES Clc1ccc2cc(sc2n1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-16-2-1-12-8-18(29-19(12)23-16)30(27,28)25-6-5-24(17(26)11-25)10-14-7-13-9-21-4-3-15(13)22-14/h1-4,7-9,22H,5-6,10-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085406
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085390
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[(E)-3...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C24H22N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1-11,13-14,29H,12H2,(H3,25,26)(H2,27,30)(H,28,31)/b5-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM13281
(4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r| Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex |
Bioorg Med Chem Lett 9: 2539-44 (1999)
BindingDB Entry DOI: 10.7270/Q21R6R1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM50081009
(CHEMBL85938 | Thieno[3,2-b]pyridine-2-sulfonic aci...)Show SMILES Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O Show InChI InChI=1S/C21H20N6O3S2/c22-15-9-12-3-6-25-20(23)14(12)8-13(15)11-27-7-4-16(21(27)28)26-32(29,30)19-10-17-18(31-19)2-1-5-24-17/h1-3,5-6,8-10,16,26H,4,7,11,22H2,(H2,23,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex |
Bioorg Med Chem Lett 9: 2539-44 (1999)
BindingDB Entry DOI: 10.7270/Q21R6R1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085392
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM13279
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex |
Bioorg Med Chem Lett 9: 2539-44 (1999)
BindingDB Entry DOI: 10.7270/Q21R6R1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123778
(2-{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-...)Show SMILES NC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C22H20ClN5O4S2/c23-16-2-1-14-8-22(33-19(14)9-16)34(31,32)27-6-5-26(21(30)13-27)11-17-7-15-10-25-4-3-18(15)28(17)12-20(24)29/h1-4,7-10H,5-6,11-13H2,(H2,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085388
(3'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)S(N)(=O)=O)c1 Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-10-11-21(28)18(13-19)4-2-12-27-23(29)16-8-6-15(7-9-16)17-3-1-5-20(14-17)32(26,30)31/h1-11,13-14,28H,12H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471876
(CHEMBL134441)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H25NO4/c1-31-23-11-10-19(16-24(23)32-20-6-2-3-7-20)27(17-18-12-14-28-15-13-18)25(29)21-8-4-5-9-22(21)26(27)30/h4-5,8-16,20H,2-3,6-7,17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085400
(4'-Sulfamoyl-biphenyl-4-carboxylic acid [(E)-3-(5-...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-9-12-21(28)18(14-19)2-1-13-27-23(29)17-5-3-15(4-6-17)16-7-10-20(11-8-16)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123765
(CHEMBL158689 | {2-[4-(6-Chloro-benzo[b]thiophene-2...)Show SMILES COC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12 Show InChI InChI=1S/C23H21ClN4O5S2/c1-33-22(30)14-28-18(8-16-11-25-5-4-19(16)28)12-26-6-7-27(13-21(26)29)35(31,32)23-9-15-2-3-17(24)10-20(15)34-23/h2-5,8-11H,6-7,12-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085401
(CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...)Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8| Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085396
(Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471873
(CHEMBL334488)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc2C1=O Show InChI InChI=1S/C38H43N3O6/c1-45-33-12-9-27(23-34(33)46-29-7-3-4-8-29)38(25-26-13-17-39-18-14-26)35(42)31-11-10-30(24-32(31)36(38)43)47-37(44)41-21-15-28(16-22-41)40-19-5-2-6-20-40/h9-14,17-18,23-24,28-29H,2-8,15-16,19-22,25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471867
(CHEMBL135621)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2C1=O Show InChI InChI=1S/C34H31NO5/c1-38-30-14-11-25(19-31(30)40-26-9-5-6-10-26)34(21-23-15-17-35-18-16-23)32(36)28-13-12-27(20-29(28)33(34)37)39-22-24-7-3-2-4-8-24/h2-4,7-8,11-20,26H,5-6,9-10,21-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471867
(CHEMBL135621)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2C1=O Show InChI InChI=1S/C34H31NO5/c1-38-30-14-11-25(19-31(30)40-26-9-5-6-10-26)34(21-23-15-17-35-18-16-23)32(36)28-13-12-27(20-29(28)33(34)37)39-22-24-7-3-2-4-8-24/h2-4,7-8,11-20,26H,5-6,9-10,21-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471871
(CHEMBL135304)Show SMILES CCOc1ccc2C(=O)C(Cc3ccncc3)(C(=O)c2c1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C29H29NO5/c1-3-34-22-9-10-23-24(17-22)28(32)29(27(23)31,18-19-12-14-30-15-13-19)20-8-11-25(33-2)26(16-20)35-21-6-4-5-7-21/h8-17,21H,3-7,18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471872
(CHEMBL134261)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCC(O)=O)cc2C1=O Show InChI InChI=1S/C29H27NO7/c1-35-24-9-6-19(14-25(24)37-20-4-2-3-5-20)29(16-18-10-12-30-13-11-18)27(33)22-8-7-21(36-17-26(31)32)15-23(22)28(29)34/h6-15,20H,2-5,16-17H2,1H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471867
(CHEMBL135621)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2C1=O Show InChI InChI=1S/C34H31NO5/c1-38-30-14-11-25(19-31(30)40-26-9-5-6-10-26)34(21-23-15-17-35-18-16-23)32(36)28-13-12-27(20-29(28)33(34)37)39-22-24-7-3-2-4-8-24/h2-4,7-8,11-20,26H,5-6,9-10,21-22H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471861
(CHEMBL423897)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2cc[n+]([O-])cc2)C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H25NO5/c1-32-23-11-10-19(16-24(23)33-20-6-2-3-7-20)27(17-18-12-14-28(31)15-13-18)25(29)21-8-4-5-9-22(21)26(27)30/h4-5,8-16,20H,2-3,6-7,17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM14058
(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)Show SMILES Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r| Show InChI InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex |
Bioorg Med Chem Lett 9: 2539-44 (1999)
BindingDB Entry DOI: 10.7270/Q21R6R1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123789
(4-(5'-Chloro-[2,2']bithiophenyl-5-sulfonyl)-1-(1H-...)Show SMILES Clc1ccc(s1)-c1ccc(s1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S3/c21-18-3-1-16(29-18)17-2-4-20(30-17)31(27,28)25-8-7-24(19(26)12-25)11-14-9-13-10-22-6-5-15(13)23-14/h1-6,9-10,23H,7-8,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM50081011
(3-[(S)-2-Oxo-3-(thieno[3,2-b]pyridine-2-sulfonylam...)Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 Show InChI InChI=1S/C19H19N5O3S2/c20-18(21)13-4-1-3-12(9-13)11-24-8-6-14(19(24)25)23-29(26,27)17-10-15-16(28-17)5-2-7-22-15/h1-5,7,9-10,14,23H,6,8,11H2,(H3,20,21)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex |
Bioorg Med Chem Lett 9: 2539-44 (1999)
BindingDB Entry DOI: 10.7270/Q21R6R1B |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471863
(CHEMBL422972)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccncc3)cc2C1=O Show InChI InChI=1S/C33H30N2O5/c1-38-29-9-6-24(18-30(29)40-25-4-2-3-5-25)33(20-22-10-14-34-15-11-22)31(36)27-8-7-26(19-28(27)32(33)37)39-21-23-12-16-35-17-13-23/h6-19,25H,2-5,20-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50379838
(CHEMBL2011750)Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1 Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human kallikrein 1 |
Bioorg Med Chem Lett 22: 2450-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.014
BindingDB Entry DOI: 10.7270/Q21G0N9N |
More data for this
Ligand-Target Pair | |
Tryptase beta-2
(Homo sapiens (Human)) | BDBM50167517
(CHEMBL191546 | [4-(3-Aminomethyl-phenyl)-piperidin...)Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C25H31N3O2/c1-18-5-3-8-22-23(17-28(24(18)22)13-14-30-2)25(29)27-11-9-20(10-12-27)21-7-4-6-19(15-21)16-26/h3-8,15,17,20H,9-14,16,26H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against tryptase |
Bioorg Med Chem Lett 15: 2734-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085394
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1 Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085391
(CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
UniChem
| PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123785
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(5-oxy...)Show SMILES [O-][n+]1ccc2[nH]c(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)cc2c1 Show InChI InChI=1S/C20H17ClN4O4S2/c21-15-2-1-13-8-20(30-18(13)9-15)31(28,29)25-6-5-23(19(26)12-25)11-16-7-14-10-24(27)4-3-17(14)22-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Tryptase beta-2
(Homo sapiens (Human)) | BDBM50167534
(CHEMBL370284 | [4-(3-Aminomethyl-phenyl)-piperidin...)Show SMILES CCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C24H29N3O/c1-3-26-16-22(21-9-4-6-17(2)23(21)26)24(28)27-12-10-19(11-13-27)20-8-5-7-18(14-20)15-25/h4-9,14,16,19H,3,10-13,15,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against tryptase |
Bioorg Med Chem Lett 15: 2734-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1 |
More data for this
Ligand-Target Pair | |
Tryptase beta-2
(Homo sapiens (Human)) | BDBM50167531
(CHEMBL365527 | [4-(3-Aminomethyl-phenyl)-piperidin...)Show SMILES CCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C25H31N3O/c1-3-12-28-17-23(22-9-4-6-18(2)24(22)28)25(29)27-13-10-20(11-14-27)21-8-5-7-19(15-21)16-26/h4-9,15,17,20H,3,10-14,16,26H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against tryptase |
Bioorg Med Chem Lett 15: 2734-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50471870
(CHEMBL337194)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(O)cc2C1=O Show InChI InChI=1S/C27H25NO5/c1-32-23-9-6-18(14-24(23)33-20-4-2-3-5-20)27(16-17-10-12-28-13-11-17)25(30)21-8-7-19(29)15-22(21)26(27)31/h6-15,20,29H,2-5,16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SW 8 Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes. |
J Med Chem 41: 4216-23 (1998)
Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123770
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cc[nH]cc3n2)C(=O)C1 Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-14-8-20(29-18(14)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-13-3-4-22-10-17(13)23-16/h1-4,7-10,22H,5-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM13280
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex |
Bioorg Med Chem Lett 9: 2539-44 (1999)
BindingDB Entry DOI: 10.7270/Q21R6R1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123775
(4-[2-(4-Chloro-phenyl)-ethenesulfonyl]-1-(1H-pyrro...)Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)cc1 |w:5.4| Show InChI InChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)6-10-29(27,28)25-9-8-24(20(26)14-25)13-18-11-16-12-22-7-5-19(16)23-18/h1-7,10-12,23H,8-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human Coagulation factor X |
J Med Chem 46: 681-4 (2003)
Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH |
More data for this
Ligand-Target Pair | |
Tryptase beta-2
(Homo sapiens (Human)) | BDBM50167524
(CHEMBL192963 | [4-(3-Aminomethyl-phenyl)-piperidin...)Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C25H31N3O/c1-2-3-13-28-18-23(22-9-4-5-10-24(22)28)25(29)27-14-11-20(12-15-27)21-8-6-7-19(16-21)17-26/h4-10,16,18,20H,2-3,11-15,17,26H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against tryptase |
Bioorg Med Chem Lett 15: 2734-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085387
(Biphenyl-4-carboxylic acid [(E)-3-(5-carbamimidoyl...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C23H21N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-13,15,27H,14H2,(H3,24,25)(H,26,28)/b7-4+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC sid
UniChem
Similars
| PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
Tryptase beta-2
(Homo sapiens (Human)) | BDBM50167525
(CHEMBL193514 | [4-(3-Aminomethyl-phenyl)-piperidin...)Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C24H29N3O2/c1-29-14-13-27-17-22(21-7-2-3-8-23(21)27)24(28)26-11-9-19(10-12-26)20-6-4-5-18(15-20)16-25/h2-8,15,17,19H,9-14,16,25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against tryptase |
Bioorg Med Chem Lett 15: 2734-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50085398
(CHEMBL72820 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1 Show InChI InChI=1S/C20H21N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h3-8,10-12,26H,1-2,9H2,(H3,21,22)(H,23,24)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of coagulation factor Xa. |
Bioorg Med Chem Lett 10: 217-21 (2000)
BindingDB Entry DOI: 10.7270/Q2M32TZG |
More data for this
Ligand-Target Pair | |
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