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Compile Data Set for Download or QSAR

Found 2261 hits with Last Name = 'blagg' and Initial = 'j'   
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
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50057484
PNG
((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)C3CN=C12
Show InChI InChI=1S/C28H32F6N2O2/c1-14-22(37)9-11-26(3)18-8-10-25(2)17(16(18)13-35-23(14)26)6-7-20(25)24(38)36-21-12-15(27(29,30)31)4-5-19(21)28(32,33)34/h4-5,12,14,16-18,20H,6-11,13H2,1-3H3,(H,36,38)/t14?,16?,17?,18?,20-,25+,26-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241235
PNG
(US9409907, 77)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/s2
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0.200n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50057500
PNG
((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...)
Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29ClF6N2O2/c1-24-9-7-16-14(12-35-22-21(28)20(37)8-10-25(16,22)2)15(24)5-6-18(24)23(38)36-19-11-13(26(29,30)31)3-4-17(19)27(32,33)34/h3-4,11,14-16,18,21H,5-10,12H2,1-2H3,(H,36,38)/t14?,15?,16?,18-,21?,24+,25-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50031889
PNG
((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(C4CCCC4)c4ccc(Cl)cc4)C3CN=C12
Show InChI InChI=1S/C31H41ClN2O2/c1-19-27(35)15-17-31(3)25-14-16-30(2)24(23(25)18-33-28(19)31)12-13-26(30)29(36)34(21-6-4-5-7-21)22-10-8-20(32)9-11-22/h8-11,19,21,23-26H,4-7,12-18H2,1-3H3/t19?,23?,24?,25?,26-,30+,31-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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0.420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


J Med Chem 50: 6095-103 (2007)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241226
PNG
(US9409907, 68)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O/c1-23(2,3)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-5)17-12-27-30(4)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)
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0.5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50031897
PNG
((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...)
Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H38Cl2N2O2/c1-29-15-13-23-21(17-33-27-26(32)25(35)14-16-30(23,27)2)22(29)11-12-24(29)28(36)34(19-5-3-4-6-19)20-9-7-18(31)8-10-20/h7-10,19,21-24,26H,3-6,11-17H2,1-2H3/t21?,22?,23?,24-,26?,29+,30-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241213
PNG
(US9409907, 55)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H27N7O/c1-31-15-18(14-27-31)16-8-9-20(21(12-16)32-2)29-24-26-13-17-10-11-25-23(22(17)30-24)28-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,28)(H,26,29,30)
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1.30n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxypeptidase N, catalytic subunit


(Homo sapiens)
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma carboxypeptidase N


J Med Chem 50: 6095-103 (2007)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241216
PNG
(US9409907, 58)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-29-13-17(12-26-29)15-5-6-18(19(9-15)30-2)27-22-25-11-16-7-8-23-21(20(16)28-22)24-10-14-3-4-14/h5-9,11-14H,3-4,10H2,1-2H3,(H,23,24)(H,25,27,28)
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2.80n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241195
PNG
(US9409907, 37)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-28-14-17(13-25-28)15-5-6-18(19(11-15)30-2)26-22-24-12-16-7-8-23-21(20(16)27-22)29-9-3-4-10-29/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,24,26,27)
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3.30n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241223
PNG
(US9409907, 65)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O/c1-14(2)10-24-21-20-16(7-8-23-21)11-25-22(28-20)27-18-6-5-15(9-19(18)30-4)17-12-26-29(3)13-17/h5-9,11-14H,10H2,1-4H3,(H,23,24)(H,25,27,28)
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3.70n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241234
PNG
(US9409907, 76)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/s2
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4.20n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1S/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315674
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1
Show InChI InChI=1S/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-7-4-3-5-8-21)28(35)26-18-33(23-9-6-12-32-14-23)17-25(26)24-11-10-22(30)13-27(24)31/h3-14,19-20,25-26,36H,15-18H2,1-2H3/t19-,20+,25-,26+,29-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1S/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/m1/s1
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>5.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315677
PNG
(((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1S/C28H34F2N2O2/c1-18-14-32(15-19(2)28(18,34)20-7-4-3-5-8-20)27(33)25-17-31(22-9-6-10-22)16-24(25)23-12-11-21(29)13-26(23)30/h3-5,7-8,11-13,18-19,22,24-25,34H,6,9-10,14-17H2,1-2H3/t18-,19+,24-,25+,28-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1S/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039286
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Show InChI InChI=1S/C29H41NO3/c1-28-8-6-23-21(15-30-25-14-20(31)5-7-29(23,25)2)22(28)3-4-24(28)27(32)33-26-18-10-16-9-17(12-18)13-19(26)11-16/h14,16-19,21-24,26,30H,3-13,15H2,1-2H3/t16-,17+,18-,19+,21-,22-,23-,24+,26?,28-,29+/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I


(Homo sapiens)
BDBM50031880
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)cc(c1)C(C)(C)C
Show InChI InChI=1S/C33H48N2O2/c1-30(2,3)20-15-21(31(4,5)6)17-22(16-20)35-29(37)27-10-9-25-24-19-34-28-18-23(36)11-13-33(28,8)26(24)12-14-32(25,27)7/h15-17,24-27H,9-14,18-19H2,1-8H3,(H,35,37)/t24?,25?,26?,27-,32+,33-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1S/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/m0/s1
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>7.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50031880
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)cc(c1)C(C)(C)C
Show InChI InChI=1S/C33H48N2O2/c1-30(2,3)20-15-21(31(4,5)6)17-22(16-20)35-29(37)27-10-9-25-24-19-34-28-18-23(36)11-13-33(28,8)26(24)12-14-32(25,27)7/h15-17,24-27H,9-14,18-19H2,1-8H3,(H,35,37)/t24?,25?,26?,27-,32+,33-/m1/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50368782
PNG
(Bexlosteride | CHEMBL24955 | LY-191704)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity on rat 5-alpha reductase-1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50031877
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F
Show InChI InChI=1S/C30H39F3N2O2/c1-27(2,3)22-7-6-17(30(31,32)33)14-24(22)35-26(37)23-9-8-20-19-16-34-25-15-18(36)10-12-29(25,5)21(19)11-13-28(20,23)4/h6-7,14,19-21,23H,8-13,15-16H2,1-5H3,(H,35,37)/t19?,20?,21?,23-,28+,29-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315679
PNG
(((3R,4S)-1-cyclopropyl-4-(2,4-difluorophenyl)pyrro...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1
Show InChI InChI=1S/C27H32F2N2O2/c1-17-13-31(14-18(2)27(17,33)19-6-4-3-5-7-19)26(32)24-16-30(21-9-10-21)15-23(24)22-11-8-20(28)12-25(22)29/h3-8,11-12,17-18,21,23-24,33H,9-10,13-16H2,1-2H3/t17-,18+,23-,24+,27-/m1/s1
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>9.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I


(Homo sapiens)
BDBM50031892
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O2/c1-24-13-11-20-18(15-26-22-14-17(28)10-12-25(20,22)2)19(24)8-9-21(24)23(29)27-16-6-4-3-5-7-16/h3-7,18-21H,8-15H2,1-2H3,(H,27,29)/t18?,19?,20?,21-,24+,25-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1S/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50378747
PNG
(CHEMBL1204056)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1S/C25H30F2N4O2/c1-15-11-31(12-16(2)25(15,33)17-5-6-17)24(32)21-14-30(23-4-3-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h3-4,7-10,15-17,20-21,33H,5-6,11-14H2,1-2H3/t15-,16+,20-,21+,25-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50378748
PNG
(CHEMBL1204054)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1S/C25H32F2N4O2/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3/t16-,17+,20-,21+,25-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50057467
PNG
(4-[4-(4-Methyl-benzoyl)-benzoyl]-benzoic acid | CH...)
Show SMILES Cc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H16O4/c1-14-2-4-15(5-3-14)20(23)16-6-8-17(9-7-16)21(24)18-10-12-19(13-11-18)22(25)26/h2-13H,1H3,(H,25,26)
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10n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibitory concentration on human 5alpha reductase 2 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1S/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/m0/s1
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>10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1S/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/m0/s1
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PubMed
>10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic carboxypeptidase A


J Med Chem 50: 6095-103 (2007)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I


(Homo sapiens)
BDBM50039266
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES COC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C20H29NO3/c1-19-9-7-15-13(14(19)4-5-16(19)18(23)24-3)11-21-17-10-12(22)6-8-20(15,17)2/h13-16H,4-11H2,1-3H3/t13?,14?,15?,16-,19+,20-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 2715-20 (2011)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I


(Homo sapiens)
BDBM50057484
PNG
((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)C3CN=C12
Show InChI InChI=1S/C28H32F6N2O2/c1-14-22(37)9-11-26(3)18-8-10-25(2)17(16(18)13-35-23(14)26)6-7-20(25)24(38)36-21-12-15(27(29,30)31)4-5-19(21)28(32,33)34/h4-5,12,14,16-18,20H,6-11,13H2,1-3H3,(H,36,38)/t14?,16?,17?,18?,20-,25+,26-/m1/s1
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19n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039259
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H36Cl2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,24-27,29H,11-18H2,1-2H3,(H,36,38)/t24?,25?,26?,27-,31+,32-/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039298
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H38N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,24-27,29H,13-20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity for human 5 alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1S/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/m1/s1
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/m0/s1
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)

More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50057498
PNG
(5-Benzyloxy-1H-indole-2-carboxylic acid | CHEMBL24...)
Show SMILES OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
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PubMed
40n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibitory concentration on human 5alpha reductase 2 isozyme


J Med Chem 40: 1293-315 (1997)

More data for this
Ligand-Target Pair
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