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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'gordon' and Initial = 'td'   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286344
PNG
(5-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C24H34N4O6/c1-15(2)11-16(13-21(29)28-34)23(32)27-20(24(33)25-10-6-5-9-22(30)31)12-17-14-26-19-8-4-3-7-18(17)19/h3-4,7-8,14-16,20,26,34H,5-6,9-13H2,1-2H3,(H,25,33)(H,27,32)(H,28,29)(H,30,31)/t16-,20+/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286335
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...)
Show SMILES CSCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C23H34N4O4S/c1-15(2)11-16(13-21(28)27-31)22(29)26-20(23(30)24-9-6-10-32-3)12-17-14-25-19-8-5-4-7-18(17)19/h4-5,7-8,14-16,20,25,31H,6,9-13H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)/t16-,20+/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286340
PNG
((R)-N*1*-[(S)-1-(4-Benzyloxy-butylcarbamoyl)-2-(1H...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOCc1ccccc1
Show InChI InChI=1S/C30H40N4O5/c1-21(2)16-23(18-28(35)34-38)29(36)33-27(17-24-19-32-26-13-7-6-12-25(24)26)30(37)31-14-8-9-15-39-20-22-10-4-3-5-11-22/h3-7,10-13,19,21,23,27,32,38H,8-9,14-18,20H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t23-,27+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286337
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)=O
Show InChI InChI=1S/C22H32N4O5S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-32(3)31)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+,32?/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286334
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[5-...)
Show SMILES COc1ccc(cc1)C(=O)CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C31H40N4O6/c1-20(2)16-22(18-29(37)35-40)30(38)34-27(17-23-19-33-26-9-5-4-8-25(23)26)31(39)32-15-7-6-10-28(36)21-11-13-24(41-3)14-12-21/h4-5,8-9,11-14,19-20,22,27,33,40H,6-7,10,15-18H2,1-3H3,(H,32,39)(H,34,38)(H,35,37)/t22-,27+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286349
PNG
((R)-N*1*-[(S)-1-(3-Dimethylamino-propylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN(C)C
Show InChI InChI=1S/C24H37N5O4/c1-16(2)12-17(14-22(30)28-33)23(31)27-21(24(32)25-10-7-11-29(3)4)13-18-15-26-20-9-6-5-8-19(18)20/h5-6,8-9,15-17,21,26,33H,7,10-14H2,1-4H3,(H,25,32)(H,27,31)(H,28,30)/t17-,21+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286350
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)(=O)=O
Show InChI InChI=1S/C22H32N4O6S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-33(3,31)32)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286347
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSc1ccccc1
Show InChI InChI=1S/C27H34N4O4S/c1-18(2)14-19(16-25(32)31-35)26(33)30-24(15-20-17-29-23-11-7-6-10-22(20)23)27(34)28-12-13-36-21-8-4-3-5-9-21/h3-11,17-19,24,29,35H,12-16H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t19-,24+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286345
PNG
((R)-N*1*-[(S)-1-(4-Dimethylamino-butylcarbamoyl)-2...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCN(C)C
Show InChI InChI=1S/C25H39N5O4/c1-17(2)13-18(15-23(31)29-34)24(32)28-22(25(33)26-11-7-8-12-30(3)4)14-19-16-27-21-10-6-5-9-20(19)21/h5-6,9-10,16-18,22,27,34H,7-8,11-15H2,1-4H3,(H,26,33)(H,28,32)(H,29,31)/t18-,22+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286339
PNG
((R)-N*1*-[(S)-1-(2-Ethylsulfanyl-ethylcarbamoyl)-2...)
Show SMILES CCSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C23H34N4O4S/c1-4-32-10-9-24-23(30)20(12-17-14-25-19-8-6-5-7-18(17)19)26-22(29)16(11-15(2)3)13-21(28)27-31/h5-8,14-16,20,25,31H,4,9-13H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)/t16-,20+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286346
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSCCN1CCOCC1
Show InChI InChI=1S/C27H41N5O5S/c1-19(2)15-20(17-25(33)31-36)26(34)30-24(16-21-18-29-23-6-4-3-5-22(21)23)27(35)28-7-13-38-14-10-32-8-11-37-12-9-32/h3-6,18-20,24,29,36H,7-17H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t20-,24+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286343
PNG
((R)-N*1*-[(S)-1-(4-Dimethylaminomethyl-benzylcarba...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C29H39N5O4/c1-19(2)13-22(15-27(35)33-38)28(36)32-26(14-23-17-30-25-8-6-5-7-24(23)25)29(37)31-16-20-9-11-21(12-10-20)18-34(3)4/h5-12,17,19,22,26,30,38H,13-16,18H2,1-4H3,(H,31,37)(H,32,36)(H,33,35)/t22-,26+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286348
PNG
((R)-N*1*-[(S)-1-[2-(2-Dimethylamino-ethylsulfanyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSCCN(C)C
Show InChI InChI=1S/C25H39N5O4S/c1-17(2)13-18(15-23(31)29-34)24(32)28-22(25(33)26-9-11-35-12-10-30(3)4)14-19-16-27-21-8-6-5-7-20(19)21/h5-8,16-18,22,27,34H,9-15H2,1-4H3,(H,26,33)(H,28,32)(H,29,31)/t18-,22+/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286336
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES COCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O5/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-31-3)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286342
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O4S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-31-3)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286338
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(N)(=O)=O
Show InChI InChI=1S/C21H31N5O6S/c1-13(2)9-14(11-19(27)26-30)20(28)25-18(21(29)23-7-8-33(22,31)32)10-15-12-24-17-6-4-3-5-16(15)17/h3-6,12-14,18,24,30H,7-11H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)(H2,22,31,32)/t14-,18+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50104969
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286341
PNG
((R)-N*1*-[(S)-1-(2-Dimethylamino-ethylcarbamoyl)-2...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C23H35N5O4/c1-15(2)11-16(13-21(29)27-32)22(30)26-20(23(31)24-9-10-28(3)4)12-17-14-25-19-8-6-5-7-18(17)19/h5-8,14-16,20,25,32H,9-13H2,1-4H3,(H,24,31)(H,26,30)(H,27,29)/t16-,20+/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3|
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155149
PNG
(4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8|
Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-
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n/an/a 60n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155148
PNG
((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17|
Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-
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n/an/a 80n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155151
PNG
(4-((1-methyl-1H-indol-3-yl)methylene)-3-(pyrazin-2...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2ccccc12 |c:9|
Show InChI InChI=1S/C17H13N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-13-16(20-21-17(13)23)14-9-18-6-7-19-14/h2-10H,1H3,(H,21,23)/b13-8-
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n/an/a 100n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155149
PNG
(4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8|
Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-
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n/an/a 140n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155146
PNG
(2-[6-(2-Morpholin-4-yl-ethoxy)-1H-indol-3-ylmethyl...)
Show SMILES O=C1Nc2ccccc2S\C1=C/c1c[nH]c2cc(OCCN3CCOCC3)ccc12
Show InChI InChI=1S/C23H23N3O3S/c27-23-22(30-21-4-2-1-3-19(21)25-23)13-16-15-24-20-14-17(5-6-18(16)20)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24H,7-12H2,(H,25,27)/b22-13-
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n/an/a 160n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155147
PNG
(2-[7-([1,4'']Bipiperidinyl-1''-carbonyl)-1H-indol-...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1cccc2c(\C=C3/Sc4ccccc4NC3=O)c[nH]c12
Show InChI InChI=1S/C28H30N4O2S/c33-27-25(35-24-10-3-2-9-23(24)30-27)17-19-18-29-26-21(19)7-6-8-22(26)28(34)32-15-11-20(12-16-32)31-13-4-1-5-14-31/h2-3,6-10,17-18,20,29H,1,4-5,11-16H2,(H,30,33)/b25-17-
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n/an/a 170n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155148
PNG
((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17|
Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-
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n/an/a 210n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155151
PNG
(4-((1-methyl-1H-indol-3-yl)methylene)-3-(pyrazin-2...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2ccccc12 |c:9|
Show InChI InChI=1S/C17H13N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-13-16(20-21-17(13)23)14-9-18-6-7-19-14/h2-10H,1H3,(H,21,23)/b13-8-
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n/an/a 230n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155146
PNG
(2-[6-(2-Morpholin-4-yl-ethoxy)-1H-indol-3-ylmethyl...)
Show SMILES O=C1Nc2ccccc2S\C1=C/c1c[nH]c2cc(OCCN3CCOCC3)ccc12
Show InChI InChI=1S/C23H23N3O3S/c27-23-22(30-21-4-2-1-3-19(21)25-23)13-16-15-24-20-14-17(5-6-18(16)20)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24H,7-12H2,(H,25,27)/b22-13-
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n/an/a 290n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155145
PNG
(4-(1H-Indol-2-ylmethylene)-5-pyrazin-2-yl-2,4-dihy...)
Show SMILES O=C1NN=C(\C1=C\c1cc2ccccc2[nH]1)c1cnccn1 |c:3|
Show InChI InChI=1S/C16H11N5O/c22-16-12(15(20-21-16)14-9-17-5-6-18-14)8-11-7-10-3-1-2-4-13(10)19-11/h1-9,19H,(H,21,22)/b12-8-
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n/an/a 410n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3|
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 470n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155147
PNG
(2-[7-([1,4'']Bipiperidinyl-1''-carbonyl)-1H-indol-...)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1cccc2c(\C=C3/Sc4ccccc4NC3=O)c[nH]c12
Show InChI InChI=1S/C28H30N4O2S/c33-27-25(35-24-10-3-2-9-23(24)30-27)17-19-18-29-26-21(19)7-6-8-22(26)28(34)32-15-11-20(12-16-32)31-13-4-1-5-14-31/h2-3,6-10,17-18,20,29H,1,4-5,11-16H2,(H,30,33)/b25-17-
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n/an/a 720n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155150
PNG
(5-Cyclopropyl-4-[4-(2-diethylamino-ethyl)-3,5-dime...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C |w:12.11,(6.74,1.52,;6.25,2.98,;4.76,3.31,;4.27,4.76,;2.76,5.08,;3.73,2.15,;2.22,2.47,;1.2,1.32,;1.68,-.12,;3.14,-.61,;.44,-1.03,;-.82,-.15,;-2.28,-.63,;-2.59,-2.12,;-1.56,-3.28,;-.02,-3.11,;-2.33,-4.61,;-3.84,-4.29,;-4.01,-2.76,;-5.34,-1.99,;-6.11,-.68,;-6.88,-2.01,;-.34,1.32,;-1.24,2.57,)|
Show InChI InChI=1S/C19H28N4O/c1-5-23(6-2)10-9-15-12(3)17(20-13(15)4)11-16-18(14-7-8-14)21-22-19(16)24/h11,20-21H,5-10H2,1-4H3,(H,22,24)
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n/an/a 840n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155150
PNG
(5-Cyclopropyl-4-[4-(2-diethylamino-ethyl)-3,5-dime...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C |w:12.11,(6.74,1.52,;6.25,2.98,;4.76,3.31,;4.27,4.76,;2.76,5.08,;3.73,2.15,;2.22,2.47,;1.2,1.32,;1.68,-.12,;3.14,-.61,;.44,-1.03,;-.82,-.15,;-2.28,-.63,;-2.59,-2.12,;-1.56,-3.28,;-.02,-3.11,;-2.33,-4.61,;-3.84,-4.29,;-4.01,-2.76,;-5.34,-1.99,;-6.11,-.68,;-6.88,-2.01,;-.34,1.32,;-1.24,2.57,)|
Show InChI InChI=1S/C19H28N4O/c1-5-23(6-2)10-9-15-12(3)17(20-13(15)4)11-16-18(14-7-8-14)21-22-19(16)24/h11,20-21H,5-10H2,1-4H3,(H,22,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155145
PNG
(4-(1H-Indol-2-ylmethylene)-5-pyrazin-2-yl-2,4-dihy...)
Show SMILES O=C1NN=C(\C1=C\c1cc2ccccc2[nH]1)c1cnccn1 |c:3|
Show InChI InChI=1S/C16H11N5O/c22-16-12(15(20-21-16)14-9-17-5-6-18-14)8-11-7-10-3-1-2-4-13(10)19-11/h1-9,19H,(H,21,22)/b12-8-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair