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Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'cruciani' and Initial = 'g'   
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
Thrombin


(Bos taurus (Bovine))
BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidylate synthase


(Homo sapiens (Human))
BDBM50022238
PNG
((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr by spectrophotometry


J Med Chem 55: 10272-6 (2012)


Article DOI: 10.1021/jm300850v
BindingDB Entry DOI: 10.7270/Q2P2708R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin


(Bos taurus (Bovine))
BDBM50091037
PNG
(1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...)
Show SMILES C[C@@H]1CCN(C(C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18?/m1/s1
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19n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine alpha-thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408407
PNG
(CHEMBL168663)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCC(=CC1)c1ccccc1 |c:23|
Show InChI InChI=1S/C25H25BrN2O2/c1-30-24-21-10-6-5-9-20(21)23(26)17-22(24)25(29)27-13-16-28-14-11-19(12-15-28)18-7-3-2-4-8-18/h2-11,17H,12-16H2,1H3,(H,27,29)
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19.9n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287161
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26BrN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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25.1n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287176
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-18-7-3-2-6-17(18)20(25)16-19(23)24(30)27-10-11-28-12-14-29(15-13-28)22-9-5-4-8-21(22)26/h2-9,16H,10-15H2,1H3,(H,27,30)
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39.8n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287175
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-20-8-3-2-7-19(20)22(25)16-21(23)24(30)27-9-10-28-11-13-29(14-12-28)18-6-4-5-17(26)15-18/h2-8,15-16H,9-14H2,1H3,(H,27,30)
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39.8n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408408
PNG
(CHEMBL436447)
Show SMILES COc1c(cc(Cl)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24Cl3N3O2/c1-32-23-17-6-3-2-5-16(17)20(26)15-18(23)24(31)28-9-10-29-11-13-30(14-12-29)21-8-4-7-19(25)22(21)27/h2-8,15H,9-14H2,1H3,(H,28,31)
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39.8n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287163
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C26H30BrN3O2/c1-18-7-6-10-24(19(18)2)30-15-13-29(14-16-30)12-11-28-26(31)22-17-23(27)20-8-4-5-9-21(20)25(22)32-3/h4-10,17H,11-16H2,1-3H3,(H,28,31)
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50.1n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287173
PNG
(4-Chloro-1-methoxy-naphthalene-2-carboxylic acid [...)
Show SMILES COc1c(cc(Cl)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26ClN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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50.1n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408402
PNG
(CHEMBL355444)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C25H25BrN4O2/c1-32-24-20-8-4-3-7-19(20)22(26)16-21(24)25(31)28-10-11-29-12-14-30(15-13-29)23-9-5-2-6-18(23)17-27/h2-9,16H,10-15H2,1H3,(H,28,31)
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50.1n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408390
PNG
(CHEMBL169229)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
Show InChI InChI=1S/C25H27BrClN3O2/c1-17-22(27)8-5-9-23(17)30-14-12-29(13-15-30)11-10-28-25(31)20-16-21(26)18-6-3-4-7-19(18)24(20)32-2/h3-9,16H,10-15H2,1-2H3,(H,28,31)
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50.1n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287165
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C25H28BrN3O2/c1-18-7-3-6-10-23(18)29-15-13-28(14-16-29)12-11-27-25(30)21-17-22(26)19-8-4-5-9-20(19)24(21)31-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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63.1n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408392
PNG
(CHEMBL166557)
Show SMILES CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C26H30BrN3O3/c1-3-33-25-20-9-5-4-8-19(20)22(27)18-21(25)26(31)28-12-13-29-14-16-30(17-15-29)23-10-6-7-11-24(23)32-2/h4-11,18H,3,12-17H2,1-2H3,(H,28,31)
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79.4n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408409
PNG
(CHEMBL167483)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H25BrN4O2/c1-30-22-18-7-3-2-6-17(18)20(24)16-19(22)23(29)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-25-21/h2-9,16H,10-15H2,1H3,(H,26,29)
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79.4n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408399
PNG
(CHEMBL168678)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H27BrN2O2/c1-30-24-21-10-6-5-9-20(21)23(26)17-22(24)25(29)27-13-16-28-14-11-19(12-15-28)18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,27,29)
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79.4n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287168
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1
Show InChI InChI=1S/C25H28BrN3O3/c1-31-23-10-6-5-9-22(23)29-15-13-28(14-16-29)12-11-27-25(30)20-17-21(26)18-7-3-4-8-19(18)24(20)32-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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79.4n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408406
PNG
(CHEMBL169450)
Show SMILES CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H27BrN4O2/c1-2-31-23-19-8-4-3-7-18(19)21(25)17-20(23)24(30)27-11-12-28-13-15-29(16-14-28)22-9-5-6-10-26-22/h3-10,17H,2,11-16H2,1H3,(H,27,30)
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79.4n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408395
PNG
(CHEMBL168908)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H24BrCl2N3O2/c1-32-23-18-5-3-2-4-17(18)20(25)15-19(23)24(31)28-8-9-29-10-12-30(13-11-29)22-7-6-16(26)14-21(22)27/h2-7,14-15H,8-13H2,1H3,(H,28,31)
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100n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408403
PNG
(CHEMBL169753)
Show SMILES CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27BrF3N3O2/c1-2-35-24-21-9-4-3-8-20(21)23(27)17-22(24)25(34)31-10-11-32-12-14-33(15-13-32)19-7-5-6-18(16-19)26(28,29)30/h3-9,16-17H,2,10-15H2,1H3,(H,31,34)
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126n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50037981
PNG
(CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...)
Show SMILES NC(=N)N1CCCCC1
Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
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150n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against human thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408391
PNG
(CHEMBL169832)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24BrCl2N3O2/c1-32-23-18-5-3-2-4-17(18)20(25)15-19(23)24(31)28-8-9-29-10-12-30(13-11-29)16-6-7-21(26)22(27)14-16/h2-7,14-15H,8-13H2,1H3,(H,28,31)
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200n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408396
PNG
(CHEMBL167230)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C24H24BrF2N3O2/c1-32-23-18-5-3-2-4-17(18)20(25)15-19(23)24(31)28-8-9-29-10-12-30(13-11-29)22-7-6-16(26)14-21(22)27/h2-7,14-15H,8-13H2,1H3,(H,28,31)
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200n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408404
PNG
(CHEMBL165879)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H27BrN4O2/c1-34-26-21-8-4-3-7-20(21)23(28)18-22(26)27(33)29-12-13-31-14-16-32(17-15-31)25-11-10-19-6-2-5-9-24(19)30-25/h2-11,18H,12-17H2,1H3,(H,29,33)
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251n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287169
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C25H28BrN3O2/c1-18-7-9-19(10-8-18)29-15-13-28(14-16-29)12-11-27-25(30)22-17-23(26)20-5-3-4-6-21(20)24(22)31-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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251n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287164
PNG
(4-Bromo-1-ethoxy-naphthalene-2-carboxylic acid [2-...)
Show SMILES CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H28BrN3O2/c1-2-31-24-21-11-7-6-10-20(21)23(26)18-22(24)25(30)27-12-13-28-14-16-29(17-15-28)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3,(H,27,30)
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251n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408397
PNG
(CHEMBL353642)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25BrF3N3O2/c1-34-23-20-8-3-2-7-19(20)22(26)16-21(23)24(33)30-9-10-31-11-13-32(14-12-31)18-6-4-5-17(15-18)25(27,28)29/h2-8,15-16H,9-14H2,1H3,(H,30,33)
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251n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50367298
PNG
(Cardene | NICARDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3
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280n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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300n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against human thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408405
PNG
(CHEMBL169090)
Show SMILES COc1ccc(Br)cc1C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24BrN3O2/c1-26-19-8-7-16(21)15-18(19)20(25)22-9-10-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,25)
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316n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287167
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(C)c1
Show InChI InChI=1S/C25H28BrN3O2/c1-18-6-5-7-19(16-18)29-14-12-28(13-15-29)11-10-27-25(30)22-17-23(26)20-8-3-4-9-21(20)24(22)31-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,30)
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316n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408398
PNG
(CHEMBL354574)
Show SMILES COc1c(Br)c2ccccc2cc1C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26BrN3O2/c1-30-23-21(17-18-7-5-6-10-20(18)22(23)25)24(29)26-11-12-27-13-15-28(16-14-27)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,26,29)
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316n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50037981
PNG
(CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...)
Show SMILES NC(=N)N1CCCCC1
Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
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360n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408401
PNG
(CHEMBL168746)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24BrN3O3/c1-27-17-8-7-16(21)19(25)18(17)20(26)22-9-10-23-11-13-24(14-12-23)15-5-3-2-4-6-15/h2-8,25H,9-14H2,1H3,(H,22,26)
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398n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
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500n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408400
PNG
(CHEMBL168245)
Show SMILES COc1c(Cl)cc(Cl)c(O)c1C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H21Cl4N3O3/c1-30-19-14(23)11-13(22)18(28)16(19)20(29)25-5-6-26-7-9-27(10-8-26)15-4-2-3-12(21)17(15)24/h2-4,11,28H,5-10H2,1H3,(H,25,29)
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501n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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690n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine beta-trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408394
PNG
(CHEMBL352905)
Show SMILES COc1c(Cl)cc(Cl)c(O)c1C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H23Cl2N3O3/c1-28-19-16(22)13-15(21)18(26)17(19)20(27)23-7-8-24-9-11-25(12-10-24)14-5-3-2-4-6-14/h2-6,13,26H,7-12H2,1H3,(H,23,27)
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1.00E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50399277
PNG
(CHEMBL2180553)
Show SMILES Oc1nc(N=NCc2ccccc2O)sc1CC(=O)Nc1cccc(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-5-3-6-13(8-12)24-16(28)9-15-17(29)25-18(30-15)26-23-10-11-4-1-2-7-14(11)27/h1-8,27,29H,9-10H2,(H,24,28)
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr using varying mTHF levels by spectrophotometry based Linewe...


J Med Chem 55: 10272-6 (2012)


Article DOI: 10.1021/jm300850v
BindingDB Entry DOI: 10.7270/Q2P2708R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50408393
PNG
(CHEMBL168691)
Show SMILES CCc1cc(Cl)c(O)c(C(=O)NCCN2CCN(CC2)c2ccccc2)c1OC
Show InChI InChI=1S/C22H28ClN3O3/c1-3-16-15-18(23)20(27)19(21(16)29-2)22(28)24-9-10-25-11-13-26(14-12-25)17-7-5-4-6-8-17/h4-8,15,27H,3,9-14H2,1-2H3,(H,24,28)
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1.58E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki


J Med Chem 40: 833-40 (1997)


Article DOI: 10.1021/jm9605952
BindingDB Entry DOI: 10.7270/Q23J3F5T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM35525
PNG
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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1.90E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50139812
PNG
((3R,5R)-fluvastatin | (3R,5R,6E)-7-[3-(4-fluorophe...)
Show SMILES CC(C)n1c(\C=C\[C@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19+/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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2.50E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50399277
PNG
(CHEMBL2180553)
Show SMILES Oc1nc(N=NCc2ccccc2O)sc1CC(=O)Nc1cccc(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-5-3-6-13(8-12)24-16(28)9-15-17(29)25-18(30-15)26-23-10-11-4-1-2-7-14(11)27/h1-8,27,29H,9-10H2,(H,24,28)
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr using varying dUMP levels by spectrophotometry based Linewe...


J Med Chem 55: 10272-6 (2012)


Article DOI: 10.1021/jm300850v
BindingDB Entry DOI: 10.7270/Q2P2708R
More data for this
Ligand-Target Pair
Brain glycogen phosphorylase


(Homo sapiens (Human))
BDBM50057754
PNG
(8,9,10-Trihydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-...)
Show SMILES OCC1OC2(NC(=O)NC2=O)C(O)C(O)C1O
Show InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)
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3.00E+3n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of rabbit glycogen phosphorylase B enzyme


J Med Chem 40: 1455-64 (1997)


Article DOI: 10.1021/jm9608016
BindingDB Entry DOI: 10.7270/Q26T0N9N
More data for this
Ligand-Target Pair
Muscle glycogen phosphorylase


(Homo sapiens (Human))
BDBM50057754
PNG
(8,9,10-Trihydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-...)
Show SMILES OCC1OC2(NC(=O)NC2=O)C(O)C(O)C1O
Show InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)
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3.02E+3n/an/an/an/an/an/an/an/a



University of Alcala

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit muscle glycogen phosphorylase


J Med Chem 40: 4089-102 (1998)

Checked by Author
Article DOI: 10.1021/jm970273d
BindingDB Entry DOI: 10.7270/Q2S46TGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50139803
PNG
((3S,5S)-fluvastatin | (3S,5S,6E)-7-[3-(4-fluorophe...)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19+/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50091037
PNG
(1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...)
Show SMILES C[C@@H]1CCN(C(C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18?/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against Trypsin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
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