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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'mordaunt' and Initial = 'je'   
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
Oxytocin receptor


(HEK293)
BDBM50219760
PNG
(CHEMBL286895)
Show SMILES O=C(Cn1ccc(nc1=O)N1CCOCC1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C33H34N6O7/c40-30(20-38-12-9-29(35-32(38)42)36-13-15-44-16-14-36)34-19-26-18-24-17-22(5-6-28(24)46-26)31(41)37-10-7-25(8-11-37)39-27-4-2-1-3-23(27)21-45-33(39)43/h1-6,9,12,17-18,25H,7-8,10-11,13-16,19-21H2,(H,34,40)
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12539
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H31ClN4O6S/c1-15(2)27(10-11-30)23(32)16(3)28-9-8-21(24(28)33)29(14-22(26)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21,30H,8-11,14H2,1-3H3,(H2,26,31)/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12544
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C28H38ClN5O6S/c1-19(2)32(11-10-31-12-14-40-15-13-31)27(36)20(3)33-9-8-25(28(33)37)34(18-26(30)35)41(38,39)24-7-5-21-16-23(29)6-4-22(21)17-24/h4-7,16-17,19-20,25H,8-15,18H2,1-3H3,(H2,30,35)/t20-,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12541
PNG
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C25H33ClN6O6S/c1-15(2)30(11-9-29-25(28)36)23(34)16(3)31-10-8-21(24(31)35)32(14-22(27)33)39(37,38)20-7-5-17-12-19(26)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14H2,1-3H3,(H2,27,33)(H3,28,29,36)/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12542
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C25H34ClN5O7S2/c1-16(2)29(12-10-28-39(4,35)36)24(33)17(3)30-11-9-22(25(30)34)31(15-23(27)32)40(37,38)21-8-6-18-13-20(26)7-5-19(18)14-21/h5-8,13-14,16-17,22,28H,9-12,15H2,1-4H3,(H2,27,32)/t17-,22-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12543
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C29H40ClN5O5S/c1-20(2)33(16-15-32-12-5-4-6-13-32)28(37)21(3)34-14-11-26(29(34)38)35(19-27(31)36)41(39,40)25-10-8-22-17-24(30)9-7-23(22)18-25/h7-10,17-18,20-21,26H,4-6,11-16,19H2,1-3H3,(H2,31,36)/t21-,26-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12540
PNG
((2S)-N-(2-aminoethyl)-2-[(3S)-3-{2-[(6-chloronapht...)
Show SMILES CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H32ClN5O5S/c1-15(2)28(11-9-26)23(32)16(3)29-10-8-21(24(29)33)30(14-22(27)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14,26H2,1-3H3,(H2,27,31)/t16-,21-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12545
PNG
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C30H36ClN5O5S/c1-21(2)34(17-16-33-13-6-4-5-7-14-33)29(38)22(3)35-15-12-27(30(35)39)36(20-28(32)37)42(40,41)26-11-9-23-18-25(31)10-8-24(23)19-26/h4-11,13-14,18-19,21-22,27H,12,15-17,20H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12528
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxytocin receptor


(HEK293)
BDBM50219779
PNG
(CHEMBL30510)
Show SMILES O=C(Cn1ccc(nc1=O)-c1ccccc1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C35H31N5O6/c41-32(21-39-17-14-29(37-34(39)43)23-6-2-1-3-7-23)36-20-28-19-26-18-24(10-11-31(26)46-28)33(42)38-15-12-27(13-16-38)40-30-9-5-4-8-25(30)22-45-35(40)44/h1-11,14,17-19,27H,12-13,15-16,20-22H2,(H,36,41)
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219786
PNG
(CHEMBL285820)
Show SMILES Cn1ncc2c1ncn(CC(=O)NCc1cc3cc(ccc3o1)C(=O)N1CCC(CC1)N1C(=O)OCc3ccccc13)c2=O
Show InChI InChI=1S/C31H29N7O6/c1-35-28-24(15-34-35)30(41)37(18-33-28)16-27(39)32-14-23-13-21-12-19(6-7-26(21)44-23)29(40)36-10-8-22(9-11-36)38-25-5-3-2-4-20(25)17-43-31(38)42/h2-7,12-13,15,18,22H,8-11,14,16-17H2,1H3,(H,32,39)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12532
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C27H37ClN4O4S/c1-19(2)31(16-15-30-12-5-4-6-13-30)26(33)20(3)32-14-11-25(27(32)34)29-37(35,36)24-10-8-21-17-23(28)9-7-22(21)18-24/h7-10,17-20,25,29H,4-6,11-16H2,1-3H3/t20-,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12535
PNG
((2S)-N-(3-aminopropyl)-2-[(3S)-3-[(6-chloronaphtha...)
Show SMILES CC(C)N(CCCN)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C23H31ClN4O4S/c1-15(2)27(11-4-10-25)22(29)16(3)28-12-9-21(23(28)30)26-33(31,32)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,26H,4,9-12,25H2,1-3H3/t16-,21-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219762
PNG
(CHEMBL283894)
Show SMILES CCOc1ccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(=O)n1
Show InChI InChI=1S/C31H31N5O7/c1-2-41-28-11-14-35(30(39)33-28)18-27(37)32-17-24-16-22-15-20(7-8-26(22)43-24)29(38)34-12-9-23(10-13-34)36-25-6-4-3-5-21(25)19-42-31(36)40/h3-8,11,14-16,23H,2,9-10,12-13,17-19H2,1H3,(H,32,37)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50113050
PNG
(CHEMBL31065 | N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxazi...)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C31H27F3N4O6/c32-31(33,34)22-6-8-28(40)37(16-22)17-27(39)35-15-24-14-21-13-19(5-7-26(21)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-20(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12529
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCNS(C)(=O)=O)CC1CC1
Show InChI InChI=1S/C24H31ClN4O6S2/c1-16(23(30)28(15-17-3-4-17)12-10-26-36(2,32)33)29-11-9-22(24(29)31)27-37(34,35)21-8-6-18-13-20(25)7-5-19(18)14-21/h5-8,13-14,16-17,22,26-27H,3-4,9-12,15H2,1-2H3/t16-,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12525
PNG
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chl...)
Show SMILES CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C23H30ClN5O5S/c1-14(2)28(11-9-26-23(25)32)21(30)15(3)29-10-8-20(22(29)31)27-35(33,34)19-7-5-16-12-18(24)6-4-17(16)13-19/h4-7,12-15,20,27H,8-11H2,1-3H3,(H3,25,26,32)/t15-,20-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12534
PNG
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-[(6-chl...)
Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C28H33ClN4O4S/c1-20(2)32(17-16-31-13-6-4-5-7-14-31)27(34)21(3)33-15-12-26(28(33)35)30-38(36,37)25-11-9-22-18-24(29)10-8-23(22)19-25/h4-11,13-14,18-21,26,30H,12,15-17H2,1-3H3/t21-,26-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12531
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCN(C)C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H33ClN4O4S/c1-16(2)28(13-12-27(4)5)23(30)17(3)29-11-10-22(24(29)31)26-34(32,33)21-9-7-18-14-20(25)8-6-19(18)15-21/h6-9,14-17,22,26H,10-13H2,1-5H3/t17-,22-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219774
PNG
(CHEMBL281243)
Show SMILES COc1cccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1=O
Show InChI InChI=1S/C31H30N4O7/c1-40-27-7-4-12-34(30(27)38)18-28(36)32-17-24-16-22-15-20(8-9-26(22)42-24)29(37)33-13-10-23(11-14-33)35-25-6-3-2-5-21(25)19-41-31(35)39/h2-9,12,15-16,23H,10-11,13-14,17-19H2,1H3,(H,32,36)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12509
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)CC1CC1
Show InChI InChI=1S/C24H27ClN4O4S/c1-16(23(30)28(11-2-10-26)15-17-3-4-17)29-12-9-22(24(29)31)27-34(32,33)21-8-6-18-13-20(25)7-5-19(18)14-21/h5-8,13-14,16-17,22,27H,2-4,9,11-12,15H2,1H3/t16-,22-/m0/s1
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3 -48.6n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12530
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCS(N)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C22H29ClN4O6S2/c1-14(2)26(10-11-34(24,30)31)21(28)15(3)27-9-8-20(22(27)29)25-35(32,33)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,25H,8-11H2,1-3H3,(H2,24,30,31)/t15-,20-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12537
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H33ClN4O6S2/c1-16(2)28(12-5-11-26-36(4,32)33)23(30)17(3)29-13-10-22(24(29)31)27-37(34,35)21-9-7-18-14-20(25)8-6-19(18)15-21/h6-9,14-17,22,26-27H,5,10-13H2,1-4H3/t17-,22-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50113051
PNG
(CHEMBL284442 | N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxaz...)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(cnc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C30H26F3N5O6/c31-30(32,33)21-5-6-26(40)37(15-21)16-25(39)34-14-23-12-19-11-20(13-35-27(19)44-23)28(41)36-9-7-22(8-10-36)38-24-4-2-1-3-18(24)17-43-29(38)42/h1-6,11-13,15,22H,7-10,14,16-17H2,(H,34,39)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219775
PNG
(CHEMBL31651)
Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C31H26ClF3N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219727
PNG
(CHEMBL262384)
Show SMILES CN1CC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C29H29N5O7/c1-31-16-26(36)33(28(31)38)15-25(35)30-14-22-13-20-12-18(6-7-24(20)41-22)27(37)32-10-8-21(9-11-32)34-23-5-3-2-4-19(23)17-40-29(34)39/h2-7,12-13,21H,8-11,14-17H2,1H3,(H,30,35)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219776
PNG
(CHEMBL32404)
Show SMILES FC(F)(F)c1cc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)cn1
Show InChI InChI=1S/C30H26F3N5O6/c31-30(32,33)25-13-27(40)37(17-35-25)15-26(39)34-14-22-12-20-11-18(5-6-24(20)44-22)28(41)36-9-7-21(8-10-36)38-23-4-2-1-3-19(23)16-43-29(38)42/h1-6,11-13,17,21H,7-10,14-16H2,(H,34,39)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219526
PNG
(CHEMBL279782)
Show SMILES CN1CCC(=O)N(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1=O
Show InChI InChI=1S/C30H31N5O7/c1-32-11-10-27(37)34(29(32)39)17-26(36)31-16-23-15-21-14-19(6-7-25(21)42-23)28(38)33-12-8-22(9-13-33)35-24-5-3-2-4-20(24)18-41-30(35)40/h2-7,14-15,22H,8-13,16-18H2,1H3,(H,31,36)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12533
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C26H35ClN4O5S/c1-18(2)30(11-10-29-12-14-36-15-13-29)25(32)19(3)31-9-8-24(26(31)33)28-37(34,35)23-7-5-20-16-22(27)6-4-21(20)17-23/h4-7,16-19,24,28H,8-15H2,1-3H3/t19-,24-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12522
PNG
((2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthal...)
Show SMILES CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C22H29ClN4O4S/c1-14(2)26(11-9-24)21(28)15(3)27-10-8-20(22(27)29)25-32(30,31)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,25H,8-11,24H2,1-3H3/t15-,20-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12536
PNG
((2S)-N-[3-(carbamoylamino)propyl]-2-[(3S)-3-[(6-ch...)
Show SMILES CC(C)N(CCCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H32ClN5O5S/c1-15(2)29(11-4-10-27-24(26)33)22(31)16(3)30-12-9-21(23(30)32)28-36(34,35)20-8-6-17-13-19(25)7-5-18(17)14-20/h5-8,13-16,21,28H,4,9-12H2,1-3H3,(H3,26,27,33)/t16-,21-/m0/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12506
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C23H27ClN4O4S/c1-15(2)27(11-4-10-25)22(29)16(3)28-12-9-21(23(28)30)26-33(31,32)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,26H,4,9,11-12H2,1-3H3/t16-,21-/m0/s1
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5 -47.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12519
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C22H28ClN3O5S/c1-14(2)25(10-11-27)21(28)15(3)26-9-8-20(22(26)29)24-32(30,31)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,24,27H,8-11H2,1-3H3/t15-,20-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12538
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12517
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C26H29ClN4O4S/c1-17(2)31(16-19-8-11-28-12-9-19)25(32)18(3)30-13-10-24(26(30)33)29-36(34,35)23-7-5-20-14-22(27)6-4-21(20)15-23/h4-9,11-12,14-15,17-18,24,29H,10,13,16H2,1-3H3/t18-,24-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219509
PNG
(CHEMBL287325)
Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219509
PNG
(CHEMBL287325)
Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219507
PNG
(CHEMBL31476)
Show SMILES O=C(CN1C(=O)CNC1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H27N5O7/c34-24(15-32-25(35)14-30-27(32)37)29-13-21-12-19-11-17(5-6-23(19)40-21)26(36)31-9-7-20(8-10-31)33-22-4-2-1-3-18(22)16-39-28(33)38/h1-6,11-12,20H,7-10,13-16H2,(H,29,34)(H,30,37)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219785
PNG
(CHEMBL283039)
Show SMILES Fc1ccc2N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)C(=O)OCc2c1
Show InChI InChI=1S/C31H26F4N4O6/c32-22-3-4-25-20(12-22)17-44-30(43)39(25)23-7-9-37(10-8-23)29(42)18-1-5-26-19(11-18)13-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)2-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219764
PNG
(CHEMBL281044)
Show SMILES O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C34H30N4O6/c39-31(20-37-14-11-22-5-1-3-7-28(22)33(37)41)35-19-27-18-25-17-23(9-10-30(25)44-27)32(40)36-15-12-26(13-16-36)38-29-8-4-2-6-24(29)21-43-34(38)42/h1-11,14,17-18,26H,12-13,15-16,19-21H2,(H,35,39)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219783
PNG
(CHEMBL282494)
Show SMILES Fc1ccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c2c1
Show InChI InChI=1S/C31H26F4N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12526
PNG
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chl...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCNC(N)=O)CC1CC1
Show InChI InChI=1S/C24H30ClN5O5S/c1-15(22(31)29(14-16-2-3-16)11-9-27-24(26)33)30-10-8-21(23(30)32)28-36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21,28H,2-3,8-11,14H2,1H3,(H3,26,27,33)/t15-,21-/m0/s1
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7n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12520
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCO)CC1CC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-15(22(29)26(10-11-28)14-16-2-3-16)27-9-8-21(23(27)30)25-33(31,32)20-7-5-17-12-19(24)6-4-18(17)13-20/h4-7,12-13,15-16,21,25,28H,2-3,8-11,14H2,1H3/t15-,21-/m0/s1
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7n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219761
PNG
(CHEMBL287101)
Show SMILES Fc1cc2oc(CNC(=O)Cn3cc(ccc3=O)C(F)(F)F)cc2cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C31H26F4N4O6/c32-24-13-26-19(11-22(45-26)14-36-27(40)16-38-15-20(31(33,34)35)5-6-28(38)41)12-23(24)29(42)37-9-7-21(8-10-37)39-25-4-2-1-3-18(25)17-44-30(39)43/h1-6,11-13,15,21H,7-10,14,16-17H2,(H,36,40)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219781
PNG
(CHEMBL30910)
Show SMILES Fc1cccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c12
Show InChI InChI=1S/C31H26F4N4O6/c32-24-3-1-2-19-17-44-30(43)39(28(19)24)22-8-10-37(11-9-22)29(42)18-4-6-25-20(12-18)13-23(45-25)14-36-26(40)16-38-15-21(31(33,34)35)5-7-27(38)41/h1-7,12-13,15,22H,8-11,14,16-17H2,(H,36,40)
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12516
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(Cc1cccnc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C26H29ClN4O4S/c1-17(2)31(16-19-5-4-11-28-15-19)25(32)18(3)30-12-10-24(26(30)33)29-36(34,35)23-9-7-20-13-22(27)8-6-21(20)14-23/h4-9,11,13-15,17-18,24,29H,10,12,16H2,1-3H3/t18-,24-/m0/s1
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219770
PNG
(CHEMBL283676)
Show SMILES FC(F)(F)c1ccc(=O)n(C[C@@H]2CCCCN2Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)26-9-11-32(43)41(19-26)20-28-6-3-4-14-40(28)21-29-18-25-17-23(8-10-31(25)47-29)33(44)39-15-12-27(13-16-39)42-30-7-2-1-5-24(30)22-46-34(42)45/h1-2,5,7-11,17-19,27-28H,3-4,6,12-16,20-22H2/t28-/m0/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to displace [3H]oxytocin from human OT receptor (hOT)


Bioorg Med Chem Lett 12: 1399-404 (2002)


Article DOI: 10.1016/s0960-894x(02)00159-2
BindingDB Entry DOI: 10.7270/Q2HT2RH4
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50219773
PNG
(CHEMBL445875)
Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cccc(n2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Show InChI InChI=1S/C34H27F3N4O5/c35-34(36,37)24-9-11-31(42)40(18-24)19-25-5-3-6-27(38-25)30-17-23-16-21(8-10-29(23)46-30)32(43)39-14-12-26(13-15-39)41-28-7-2-1-4-22(28)20-45-33(41)44/h1-11,16-18,26H,12-15,19-20H2
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3[H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 12: 1405-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00160-9
BindingDB Entry DOI: 10.7270/Q2C24VRF
More data for this
Ligand-Target Pair
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