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Compile Data Set for Download or QSAR

Found 1708 hits with Last Name = 'li' and Initial = 'gb'   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291847
PNG
(7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetra...)
Show SMILES O=C1CC(Oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-13-21(10-11-22(24)25)34-15-17-4-3-6-20(12-17)35-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
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0.100n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17284
PNG
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18|
Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
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0.110 -56.3n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Biochemistry 39: 12534-42 (2000)


BindingDB Entry DOI: 10.7270/Q2C827JM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1 |c:4|
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
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0.110 -56.3n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


Article DOI: 10.1107/s0907444999007350
BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17284
PNG
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)
Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18|
Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
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0.110n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM17280
PNG
(1-[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluo...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1 |c:4|
Show InChI InChI=1S/C28H28F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-8,12-13,17,37H,3,5,9-11,14H2,1H3,(H3,31,32)(H,38,39)
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0.110 -56.3n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Biochemistry 39: 12534-42 (2000)


BindingDB Entry DOI: 10.7270/Q2C827JM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291855
PNG
(7-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-2-(1H-t...)
Show SMILES O=C1CC(Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-12-17(8-11-22(24)25)15-34-20-5-3-6-21(13-20)35-16-19-10-9-18-4-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
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0.120n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066635
PNG
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1 |c:4|
Show InChI InChI=1S/C29H30F2N6O6/c1-36-12-9-34-27(36)17-3-2-4-19(13-17)42-28-23(30)25(41-18-7-10-37(11-8-18)15-22(39)40)24(31)29(35-28)43-21-14-16(26(32)33)5-6-20(21)38/h2-6,13-14,18,38H,7-12,15H2,1H3,(H3,32,33)(H,39,40)
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0.240n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066619
PNG
(({2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluo...)
Show SMILES CCOC(=O)CN(C)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:20|
Show InChI InChI=1S/C27H28F2N6O5/c1-4-38-20(37)14-35(3)23-21(28)26(39-17-7-5-6-16(12-17)25-32-10-11-34(25)2)33-27(22(23)29)40-19-13-15(24(30)31)8-9-18(19)36/h5-9,12-13,36H,4,10-11,14H2,1-3H3,(H3,30,31)
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0.260n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17282
PNG
(7-({6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)
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0.270 -54.1n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


Article DOI: 10.1107/s0907444999007350
BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009075
PNG
(CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)
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0.300n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17259
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCN1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C26H27Cl3N4O2S/c1-32(12-13-33-10-2-3-11-33)15-17-16-36-24(23(17)29)26(35)31-22-9-6-19(28)14-21(22)25(34)30-20-7-4-18(27)5-8-20/h4-9,14,16H,2-3,10-13,15H2,1H3,(H,30,34)(H,31,35)
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0.300n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291848
PNG
(7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-ethyl}-2-(1...)
Show SMILES O=C1CC(Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C28H23N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-7,10-15,27H,8-9,16-17H2,(H,30,31,32,33)
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0.300n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066634
PNG
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)
Show SMILES CCOC(=O)CN1CCC(CC1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:26|
Show InChI InChI=1S/C31H34F2N6O6/c1-3-42-24(41)17-39-12-9-20(10-13-39)43-27-25(32)30(44-21-6-4-5-19(15-21)29-36-11-14-38(29)2)37-31(26(27)33)45-23-16-18(28(34)35)7-8-22(23)40/h4-8,15-16,20,40H,3,9-14,17H2,1-2H3,(H3,34,35)
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0.310n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17226
PNG
(3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(24)8-10-15)27-23(29)21-20(25)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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0.320n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066641
PNG
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)
Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(O[C@H]3CN[C@@H](C3)C(O)=O)c2F)c1 |c:4|
Show InChI InChI=1S/C27H26F2N6O6/c1-35-8-7-32-24(35)14-3-2-4-15(9-14)40-25-20(28)22(39-16-11-17(27(37)38)33-12-16)21(29)26(34-25)41-19-10-13(23(30)31)5-6-18(19)36/h2-6,9-10,16-17,33,36H,7-8,11-12H2,1H3,(H3,30,31)(H,37,38)/t16-,17+/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17226
PNG
(3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(24)8-10-15)27-23(29)21-20(25)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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0.330 -53.6n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17261
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C1CCN(C)CC1
Show InChI InChI=1S/C26H27Cl3N4O2S/c1-32-11-9-20(10-12-32)33(2)14-16-15-36-24(23(16)29)26(35)31-22-8-5-18(28)13-21(22)25(34)30-19-6-3-17(27)4-7-19/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,30,34)(H,31,35)
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0.380n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17269
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CS(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O3S2/c1-30(28)10-11-9-29-18(17(11)23)20(27)25-16-7-4-13(22)8-15(16)19(26)24-14-5-2-12(21)3-6-14/h2-9H,10H2,1H3,(H,24,26)(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066623
PNG
(CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-pheno...)
Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1
Show InChI InChI=1S/C24H23F2N5O6/c1-30(2)24(35)13-5-4-6-14(9-13)36-22-18(25)20(31(3)11-17(33)34)19(26)23(29-22)37-16-10-12(21(27)28)7-8-15(16)32/h4-10,32H,11H2,1-3H3,(H3,27,28)(H,33,34)
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0.410n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066639
PNG
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)
Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:24|
Show InChI InChI=1S/C29H30F2N6O6/c1-3-40-29(39)19-13-18(14-35-19)41-24-22(30)27(42-17-6-4-5-16(11-17)26-34-9-10-37(26)2)36-28(23(24)31)43-21-12-15(25(32)33)7-8-20(21)38/h4-8,11-12,18-19,35,38H,3,9-10,13-14H2,1-2H3,(H3,32,33)/t18-,19+/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17256
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H25Cl3N4O2S/c1-30(2)10-11-31(3)13-15-14-34-22(21(15)27)24(33)29-20-9-6-17(26)12-19(20)23(32)28-18-7-4-16(25)5-8-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,28,32)(H,29,33)
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0.450n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404108
PNG
(CHEMBL147645)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H16BrClN2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(24)8-10-15)27-23(29)21-20(25)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
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0.460n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17257
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN(CC)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C26H29Cl3N4O2S/c1-4-33(5-2)13-12-32(3)15-17-16-36-24(23(17)29)26(35)31-22-11-8-19(28)14-21(22)25(34)30-20-9-6-18(27)7-10-20/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,30,34)(H,31,35)
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0.520n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17227
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
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0.600 -52.1n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17258
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C25H27Cl3N4O2S/c1-31(2)11-4-12-32(3)14-16-15-35-23(22(16)28)25(34)30-21-10-7-18(27)13-20(21)24(33)29-19-8-5-17(26)6-9-19/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,29,33)(H,30,34)
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0.600n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17227
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
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0.600n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066625
PNG
(CHEMBL120438 | {4-[2-(5-Carbamimidoyl-2-hydroxy-ph...)
Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1
Show InChI InChI=1S/C28H29F2N5O7/c1-34(2)28(39)16-4-3-5-18(12-16)41-26-22(29)24(40-17-8-10-35(11-9-17)14-21(37)38)23(30)27(33-26)42-20-13-15(25(31)32)6-7-19(20)36/h3-7,12-13,17,36H,8-11,14H2,1-2H3,(H3,31,32)(H,37,38)
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0.650n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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0.660 -51.9n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


Article DOI: 10.1107/s0907444999007350
BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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0.660n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066628
PNG
((2S,4R)-4-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6...)
Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C(=O)N(C)C)nc(Oc2cc(ccc2O)C(N)=N)c1F
Show InChI InChI=1S/C28H29F2N5O7/c1-4-39-28(38)18-12-17(13-33-18)40-23-21(29)25(41-16-7-5-6-15(10-16)27(37)35(2)3)34-26(22(23)30)42-20-11-14(24(31)32)8-9-19(20)36/h5-11,17-18,33,36H,4,12-13H2,1-3H3,(H3,31,32)/t17-,18+/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17268
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O2S2/c1-28-9-11-10-29-18(17(11)23)20(27)25-16-7-4-13(22)8-15(16)19(26)24-14-5-2-12(21)3-6-14/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
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0.800n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17252
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H20Cl3N3O3S/c1-28(8-9-29)11-13-12-32-20(19(13)25)22(31)27-18-7-4-15(24)10-17(18)21(30)26-16-5-2-14(23)3-6-16/h2-7,10,12,29H,8-9,11H2,1H3,(H,26,30)(H,27,31)
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0.800n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17228
PNG
(N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3...)
Show SMILES Cc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-17-4-2-3-5-20(17)30-21(13)23(29)27-19-11-8-15(25)12-18(19)22(28)26-16-9-6-14(24)7-10-16/h2-12H,1H3,(H,26,28)(H,27,29)
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0.820 -51.3n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17231
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-2-8-16-19(10-12)31-21(20(16)26)23(30)28-18-9-5-14(25)11-17(18)22(29)27-15-6-3-13(24)4-7-15/h2-11H,1H3,(H,27,29)(H,28,30)
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0.950 -51.0n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17085
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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1 -50.9n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291849
PNG
(CHEMBL47662 | N-[4-Oxo-2-(1H-tetrazol-5-yl)-chroma...)
Show SMILES O=C(Nc1cccc2C(=O)CC(Oc12)c1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H20N6O4/c34-23-14-24(26-30-32-33-31-26)37-25-20(23)5-3-7-22(25)29-27(35)17-9-12-19(13-10-17)36-15-18-11-8-16-4-1-2-6-21(16)28-18/h1-13,24H,14-15H2,(H,29,35)(H,30,31,32,33)
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1.10n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066638
PNG
(3-[6-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-diflu...)
Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(C)c2F)c1
Show InChI InChI=1S/C22H20F2N4O4/c1-11-17(23)20(31-14-6-4-5-13(9-14)22(30)28(2)3)27-21(18(11)24)32-16-10-12(19(25)26)7-8-15(16)29/h4-10,29H,1-3H3,(H3,25,26)
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1.20n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory potency was measured against human coagulation factor X


J Med Chem 41: 3557-62 (1998)


Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291850
PNG
(3-{2-Methyl-4-oxo-7-[3-(quinolin-2-ylmethoxy)-benz...)
Show SMILES CC1(CCC(O)=O)CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C30H27NO6/c1-30(14-13-29(33)34)17-27(32)25-12-11-24(16-28(25)37-30)35-18-20-5-4-7-23(15-20)36-19-22-10-9-21-6-2-3-8-26(21)31-22/h2-12,15-16H,13-14,17-19H2,1H3,(H,33,34)
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1.20n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291854
PNG
(4-Oxo-6-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chrom...)
Show SMILES OC(=O)C1CC(=O)c2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-11-10-21(13-22(24)25)32-15-17-4-3-6-20(12-17)33-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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1.30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17253
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CC(O)CO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c1-29(10-17(31)11-30)9-13-12-34-21(20(13)26)23(33)28-19-7-4-15(25)8-18(19)22(32)27-16-5-2-14(24)3-6-16/h2-8,12,17,30-31H,9-11H2,1H3,(H,27,32)(H,28,33)
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1.40n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17264
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2ccnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)26-20(30)16-9-14(23)3-6-17(16)27-21(31)19-18(24)12(11-32-19)10-29-8-7-25-28-29/h1-9,11H,10H2,(H,26,30)(H,27,31)
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1.40n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17255
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H24Cl3N3O4S/c1-30(8-10-34-11-9-31)13-15-14-35-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14,31H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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1.5n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17263
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)27-20(30)16-7-14(23)3-6-17(16)28-21(31)19-18(24)12(9-32-19)8-29-11-25-10-26-29/h1-7,9-11H,8H2,(H,27,30)(H,28,31)
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1.60n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17248
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-2-31-9-11-32(12-10-31)14-16-15-35-23(22(16)28)25(34)30-21-8-5-18(27)13-20(21)24(33)29-19-6-3-17(26)4-7-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,29,33)(H,30,34)
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1.60n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17281
PNG
(7-({2-[(1-ethanimidoylpiperidin-4-yl)oxy]-9H-carba...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2c(c1)n(Cc1ccc3ccc(cc3c1)C(N)=N)c1ccccc21
Show InChI InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34)
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1.60 -49.7n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999)


Article DOI: 10.1107/s0907444999007350
BindingDB Entry DOI: 10.7270/Q2H1308B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17266
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cnnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H13Cl3N6O2S/c21-12-1-4-14(5-2-12)25-19(30)15-7-13(22)3-6-16(15)26-20(31)18-17(23)11(9-32-18)8-29-10-24-27-28-29/h1-7,9-10H,8H2,(H,25,30)(H,26,31)
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1.70n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50404133
PNG
(CHEMBL356112)
Show SMILES Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-10-14(25)11-17(22(29)27-15-8-6-13(24)7-9-15)20(12)28-23(30)21-19(26)16-4-2-3-5-18(16)31-21/h2-11H,1H3,(H,27,29)(H,28,30)
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1.80n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17242
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2ccnc2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N4O2S/c23-14-1-4-16(5-2-14)27-21(30)17-9-15(24)3-6-18(17)28-22(31)20-19(25)13(11-32-20)10-29-8-7-26-12-29/h1-9,11-12H,10H2,(H,27,30)(H,28,31)
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1.90n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17267
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2ncnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H13Cl3N6O2S/c21-12-1-4-14(5-2-12)26-19(30)15-7-13(22)3-6-16(15)27-20(31)18-17(23)11(9-32-18)8-29-25-10-24-28-29/h1-7,9-10H,8H2,(H,26,30)(H,27,31)
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2n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17270
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CS(=O)(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O4S2/c1-31(28,29)10-11-9-30-18(17(11)23)20(27)25-16-7-4-13(22)8-15(16)19(26)24-14-5-2-12(21)3-6-14/h2-9H,10H2,1H3,(H,24,26)(H,25,27)
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2.10n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
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