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PubMed code 9873607

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50071948
PNG
(CHEMBL314535 | Urea analogue)
Show SMILES C\C(N)=[N+]1/CCC(C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=[NH2+])C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H4,28,29,31,32)/p+2
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30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation protein factor Xa


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071942
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-[1,3]diazepan...)
Show SMILES NC(=N)c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O/c25-23(26)20-9-6-10-22(17-20)29-14-5-4-13-28(24(29)30)21-11-15-27(16-12-21)18-19-7-2-1-3-8-19/h1-3,6-10,17,21H,4-5,11-16,18H2,(H3,25,26)
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102n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50071946
PNG
(3-(3-{4-[(Z)-amino(imino)methyl]phenyl}-2-oxo-1,3-...)
Show SMILES NC(=N)c1ccc(cc1)N1CCCCN(c2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C19H22N6O/c20-17(21)13-6-8-15(9-7-13)24-10-1-2-11-25(19(24)26)16-5-3-4-14(12-16)18(22)23/h3-9,12H,1-2,10-11H2,(H3,20,21)(H3,22,23)
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120n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50071942
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-[1,3]diazepan...)
Show SMILES NC(=N)c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O/c25-23(26)20-9-6-10-22(17-20)29-14-5-4-13-28(24(29)30)21-11-15-27(16-12-21)18-19-7-2-1-3-8-19/h1-3,6-10,17,21H,4-5,11-16,18H2,(H3,25,26)
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282n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071941
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-tetrahydro-py...)
Show SMILES NC(=N)c1cccc(c1)N1CCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C23H29N5O/c24-22(25)19-8-4-9-21(16-19)28-13-5-12-27(23(28)29)20-10-14-26(15-11-20)17-18-6-2-1-3-7-18/h1-4,6-9,16,20H,5,10-15,17H2,(H3,24,25)
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400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071946
PNG
(3-(3-{4-[(Z)-amino(imino)methyl]phenyl}-2-oxo-1,3-...)
Show SMILES NC(=N)c1ccc(cc1)N1CCCCN(c2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C19H22N6O/c20-17(21)13-6-8-15(9-7-13)24-10-1-2-11-25(19(24)26)16-5-3-4-14(12-16)18(22)23/h3-9,12H,1-2,10-11H2,(H3,20,21)(H3,22,23)
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800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50071948
PNG
(CHEMBL314535 | Urea analogue)
Show SMILES C\C(N)=[N+]1/CCC(C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=[NH2+])C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H4,28,29,31,32)/p+2
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1.10E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50071945
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-ureido]-benzamidine...)
Show SMILES NC(=N)c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H25N5O/c21-19(22)16-7-4-8-18(13-16)24-20(26)23-17-9-11-25(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H3,21,22)(H2,23,24,26)
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>1.20E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50071947
PNG
(4-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-[1,3]diazepan...)
Show SMILES NC(=N)c1ccc(cc1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O/c25-23(26)20-8-10-21(11-9-20)28-14-4-5-15-29(24(28)30)22-12-16-27(17-13-22)18-19-6-2-1-3-7-19/h1-3,6-11,22H,4-5,12-18H2,(H3,25,26)
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>1.60E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of trypsin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071942
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-[1,3]diazepan...)
Show SMILES NC(=N)c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O/c25-23(26)20-9-6-10-22(17-20)29-14-5-4-13-28(24(29)30)21-11-15-27(16-12-21)18-19-7-2-1-3-8-19/h1-3,6-10,17,21H,4-5,11-16,18H2,(H3,25,26)
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2.00E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071943
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-imidazolidin-...)
Show SMILES NC(=N)c1cccc(c1)N1CCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C22H27N5O/c23-21(24)18-7-4-8-20(15-18)27-14-13-26(22(27)28)19-9-11-25(12-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H3,23,24)
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2.10E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071944
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-oxo-[1,3]diazepan-...)
Show SMILES NC(=N)N1CCC(CC1)N1CCCCN(c2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C18H27N7O/c19-16(20)13-4-3-5-15(12-13)25-9-2-1-8-24(18(25)26)14-6-10-23(11-7-14)17(21)22/h3-5,12,14H,1-2,6-11H2,(H3,19,20)(H3,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071948
PNG
(CHEMBL314535 | Urea analogue)
Show SMILES C\C(N)=[N+]1/CCC(C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=[NH2+])C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H4,28,29,31,32)/p+2
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4.20E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071945
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-ureido]-benzamidine...)
Show SMILES NC(=N)c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H25N5O/c21-19(22)16-7-4-8-18(13-16)24-20(26)23-17-9-11-25(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H3,21,22)(H2,23,24,26)
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4.90E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071941
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-tetrahydro-py...)
Show SMILES NC(=N)c1cccc(c1)N1CCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C23H29N5O/c24-22(25)19-8-4-9-21(16-19)28-13-5-12-27(23(28)29)20-10-14-26(15-11-20)17-18-6-2-1-3-7-18/h1-4,6-9,16,20H,5,10-15,17H2,(H3,24,25)
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7.30E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071947
PNG
(4-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-[1,3]diazepan...)
Show SMILES NC(=N)c1ccc(cc1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O/c25-23(26)20-8-10-21(11-9-20)28-14-4-5-15-29(24(28)30)22-12-16-27(17-13-22)18-19-6-2-1-3-7-19/h1-3,6-11,22H,4-5,12-18H2,(H3,25,26)
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7.50E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of blood coagulation factor X


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071946
PNG
(3-(3-{4-[(Z)-amino(imino)methyl]phenyl}-2-oxo-1,3-...)
Show SMILES NC(=N)c1ccc(cc1)N1CCCCN(c2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C19H22N6O/c20-17(21)13-6-8-15(9-7-13)24-10-1-2-11-25(19(24)26)16-5-3-4-14(12-16)18(22)23/h3-9,12H,1-2,10-11H2,(H3,20,21)(H3,22,23)
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9.30E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071943
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-imidazolidin-...)
Show SMILES NC(=N)c1cccc(c1)N1CCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C22H27N5O/c23-21(24)18-7-4-8-20(15-18)27-14-13-26(22(27)28)19-9-11-25(12-10-19)16-17-5-2-1-3-6-17/h1-8,15,19H,9-14,16H2,(H3,23,24)
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1.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071944
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-oxo-[1,3]diazepan-...)
Show SMILES NC(=N)N1CCC(CC1)N1CCCCN(c2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C18H27N7O/c19-16(20)13-4-3-5-15(12-13)25-9-2-1-8-24(18(25)26)14-6-10-23(11-7-14)17(21)22/h3-5,12,14H,1-2,6-11H2,(H3,19,20)(H3,21,22)
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>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071947
PNG
(4-[3-(1-Benzyl-piperidin-4-yl)-2-oxo-[1,3]diazepan...)
Show SMILES NC(=N)c1ccc(cc1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C24H31N5O/c25-23(26)20-8-10-21(11-9-20)28-14-4-5-15-29(24(28)30)22-12-16-27(17-13-22)18-19-6-2-1-3-7-19/h1-3,6-11,22H,4-5,12-18H2,(H3,25,26)
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>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50071945
PNG
(3-[3-(1-Benzyl-piperidin-4-yl)-ureido]-benzamidine...)
Show SMILES NC(=N)c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H25N5O/c21-19(22)16-7-4-8-18(13-16)24-20(26)23-17-9-11-25(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H3,21,22)(H2,23,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of thrombin.


Bioorg Med Chem Lett 8: 2705-10 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%