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Compile Data Set for Download or QSAR

Found 54 hits from Ajinomoto Company Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127501
PNG
(3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33)
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PubMed
3n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127492
PNG
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O
Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1
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11n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127502
PNG
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1
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18n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127495
PNG
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35)
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20n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127504
PNG
(CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(H3,22,23)(H,24,26)
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20n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127494
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32)
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21n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127498
PNG
(3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29)
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26n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127503
PNG
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1
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28n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127493
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)
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43n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127506
PNG
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](COc1cccc(c1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m0/s1
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170n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127496
PNG
(CHEMBL51796 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N
Show InChI InChI=1S/C23H29N5O3/c1-16(24)28-12-9-20(10-13-28)31-19-7-5-17(6-8-19)23(29)27-11-14-30-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)(H,27,29)
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170n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127497
PNG
(4-Carbamimidoyl-N-[2-(3-carbamimidoyl-phenoxy)-eth...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N
Show InChI InChI=1S/C17H19N5O2/c18-15(19)11-4-6-12(7-5-11)17(23)22-8-9-24-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,23)
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220n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127500
PNG
(3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-4-carboxyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C20H25N5O2/c21-19(22)16-2-1-3-18(14-16)27-13-10-24-20(26)15-6-11-25(12-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)(H,24,26)
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290n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127499
PNG
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CCC(O)=O)C(N)=N
Show InChI InChI=1S/C26H33N5O5/c1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33/h2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)
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330n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50127505
PNG
(CHEMBL55364 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H17N3O2/c17-15(18)13-7-4-8-14(11-13)21-10-9-19-16(20)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,17,18)(H,19,20)
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2.80E+3n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127501
PNG
(3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33)
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2.40E+4n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127498
PNG
(3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29)
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3.80E+4n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127495
PNG
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35)
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5.30E+4n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127504
PNG
(CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(H3,22,23)(H,24,26)
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1.10E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127494
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32)
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1.40E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127496
PNG
(CHEMBL51796 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N
Show InChI InChI=1S/C23H29N5O3/c1-16(24)28-12-9-20(10-13-28)31-19-7-5-17(6-8-19)23(29)27-11-14-30-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)(H,27,29)
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4.40E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127492
PNG
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O
Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1
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5.40E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127502
PNG
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1
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6.80E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127497
PNG
(4-Carbamimidoyl-N-[2-(3-carbamimidoyl-phenoxy)-eth...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N
Show InChI InChI=1S/C17H19N5O2/c18-15(19)11-4-6-12(7-5-11)17(23)22-8-9-24-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,23)
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7.10E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127505
PNG
(CHEMBL55364 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H17N3O2/c17-15(18)13-7-4-8-14(11-13)21-10-9-19-16(20)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,17,18)(H,19,20)
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8.00E+5n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127500
PNG
(3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-4-carboxyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C20H25N5O2/c21-19(22)16-2-1-3-18(14-16)27-13-10-24-20(26)15-6-11-25(12-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)(H,24,26)
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1.00E+6n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127493
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)
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>1.50E+6n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127506
PNG
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](COc1cccc(c1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m0/s1
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>1.50E+6n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127503
PNG
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1
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>1.50E+6n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50127499
PNG
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CCC(O)=O)C(N)=N
Show InChI InChI=1S/C26H33N5O5/c1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33/h2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)
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>1.50E+6n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211650
PNG
(3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbo...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCC1
Show InChI InChI=1S/C21H23ClN2O5S/c1-13(16-3-2-4-17(16)22)29-21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)12-30-10-9-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211649
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211647
PNG
(3-(4-(4-((1-(2-chlorocyclohex-1-enyl)ethoxy)carbon...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCCC1
Show InChI InChI=1S/C22H25ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 56n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211646
PNG
(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)
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n/an/a 72n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211655
PNG
(4-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H20ClN3O6/c1-13(16-4-2-3-5-17(16)23)32-22(30)25-18-12-31-26-21(18)14-6-8-15(9-7-14)24-19(27)10-11-20(28)29/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)
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n/an/a 73n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211645
PNG
(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCS(O)(=O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O6S2/c1-14(17-4-2-3-5-18(17)22)30-21(25)23-19-12-29-24-20(19)16-8-6-15(7-9-16)13-31-10-11-32(26,27)28/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)(H,26,27,28)
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n/an/a 74n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211651
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)
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n/an/a 81n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211648
PNG
(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCSCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)10-11-31-13-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211653
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CS(=O)(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O7S/c1-14(17-4-2-3-5-18(17)23)32-22(28)24-19-12-31-25-21(19)16-8-6-15(7-9-16)13-33(29,30)11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50211654
PNG
(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)
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n/an/a 120n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211650
PNG
(3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbo...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCC1
Show InChI InChI=1S/C21H23ClN2O5S/c1-13(16-3-2-4-17(16)22)29-21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)12-30-10-9-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26)
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n/an/a 130n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211648
PNG
(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCSCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)10-11-31-13-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 130n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211655
PNG
(4-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H20ClN3O6/c1-13(16-4-2-3-5-17(16)23)32-22(30)25-18-12-31-26-21(18)14-6-8-15(9-7-14)24-19(27)10-11-20(28)29/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)
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n/an/a 140n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50170859
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
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n/an/a 160n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211647
PNG
(3-(4-(4-((1-(2-chlorocyclohex-1-enyl)ethoxy)carbon...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCCC1
Show InChI InChI=1S/C22H25ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 170n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211646
PNG
(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)
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n/an/a 200n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211649
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 220n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211651
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)
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n/an/a 260n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211653
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CS(=O)(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O7S/c1-14(17-4-2-3-5-18(17)23)32-22(28)24-19-12-31-25-21(19)16-8-6-15(7-9-16)13-33(29,30)11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
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n/an/a 280n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50211654
PNG
(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)
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n/an/a 370n/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...


Bioorg Med Chem Lett 17: 3736-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.024
BindingDB Entry DOI: 10.7270/Q2CZ36T2
More data for this
Ligand-Target Pair
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