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Compile Data Set for Download or QSAR

Found 627 hits with Last Name = 'atwal' and Initial = 'ks'   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004154
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O |c:7,t:4|
Show InChI InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004155
PNG
(2-Butyl-6-chloro-4,4-dimethyl-1-[2'-(1H-tetrazol-5...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,14|
Show InChI InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225073
PNG
((S)-2-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12 |w:1.0,3.3,TLB:12:10:8:5.3.2,13:10:8:5.3.2,THB:12:3:9.10.11:8,2:3:9:11.1.8,2:1:9:5.12.3,TEB:4:3:9:11.1.8,4:3:9.10.11:8,0:1:9:5.12.3,0:1:5:9.10.12|
Show InChI InChI=1S/C19H30N2O2/c1-16-6-17(2)8-18(7-16,11-19(23,9-16)10-17)14(20)15(22)21-4-3-12-5-13(12)21/h12-14,23H,3-11,20H2,1-2H3/t12-,13+,14-,16?,17?,18?,19?/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358883
PNG
(CHEMBL1923468)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCCN(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O |r|
Show InChI InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1
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4.71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Michaelis Menten equation analysis


Bioorg Med Chem Lett 21: 7516-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.098
BindingDB Entry DOI: 10.7270/Q2MK6DBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin II AT1B


(RAT)
BDBM50004164
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(=O)OCC |c:7,t:4|
Show InChI InChI=1S/C26H28ClN6O2/c1-4-6-11-22-28-24(27)23(26(34)35-5-2)17(3)33(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-29-31-32-30-25/h7-10,12-15,17H,4-6,11,16H2,1-3H3/q-1
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8.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225053
PNG
(2-(S)-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES N[C@H](C(=O)N1CC[C@@H]2C[C@H]12)C12CC3CC(CC(O)(C3)C1)C2 |w:12.20,14.23,TLB:13:14:19:18.11.12,THB:1:10:15:18.12.13,11:10:15:18.12.13,11:12:19.10.20:15,13:12:19:20.14.15,TEB:20:14:18:19.10.11|
Show InChI InChI=1S/C17H26N2O2/c18-14(15(20)19-2-1-12-4-13(12)19)16-5-10-3-11(6-16)8-17(21,7-10)9-16/h10-14,21H,1-9,18H2/t10?,11?,12-,13+,14-,16?,17?/m1/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50175075
PNG
((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...)
Show SMILES Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|
Show InChI InChI=1S/C29H37N5O6/c1-20-16-21-17-22(9-10-25(21)40-20)31-27(23(18-30)29(38)39-15-7-6-14-35)32-24-8-2-3-13-34(28(24)37)19-26(36)33-11-4-5-12-33/h9-10,16-17,23-24,35H,2-8,11-15,19H2,1H3,(H,31,32)/t23?,24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human FXa


Bioorg Med Chem Lett 15: 5453-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.107
BindingDB Entry DOI: 10.7270/Q2KH0MW5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225049
PNG
(2-(S)-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...)
Show SMILES N[C@H](C(=O)N1CC[C@@H]2C[C@H]12)C12CC3CC(O)(CC(O)(C3)C1)C2 |w:14.16,17.19,TLB:19:12:21:20.17.16,19:17:21:13.11.12,THB:1:10:16:13.12.19,11:10:16:13.12.19,11:12:21.10.20:16,TEB:18:17:21:13.11.12,18:17:13:21.10.11|
Show InChI InChI=1S/C17H26N2O3/c18-13(14(20)19-2-1-11-3-12(11)19)15-4-10-5-16(21,7-15)9-17(22,6-10)8-15/h10-13,21-22H,1-9,18H2/t10?,11-,12+,13-,15?,16?,17?/m1/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062397
PNG
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)
Show SMILES CCC(C)(C)NC(NC#N)=Nc1cccnc1 |w:10.10|
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225050
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-thiazol...)
Show SMILES N[C@H](C(=O)N1CCSC1)C12CC3CC(CC(O)(C3)C1)C2 |w:11.12,13.13,THB:1:9:14:17.11.12,10:9:14:17.11.12,10:11:18.9.19:14,TEB:12:11:18:19.13.14,12:13:18:17.10.11|
Show InChI InChI=1S/C15H24N2O2S/c16-12(13(18)17-1-2-20-9-17)14-4-10-3-11(5-14)7-15(19,6-10)8-14/h10-12,19H,1-9,16H2/t10?,11?,12-,14?,15?/m1/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004153
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-chlor...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC |c:7,t:4|
Show InChI InChI=1S/C26H29ClN2O4/c1-4-6-11-22-28-24(27)23(26(32)33-5-2)17(3)29(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,30,31)
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50281270
PNG
(Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-8-me...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N2O5S/c1-15(26)30-21-22(16-6-8-17(28-4)9-7-16)31-20-14-18(29-5)10-11-19(20)25(23(21)27)13-12-24(2)3/h6-11,14,21-22H,12-13H2,1-5H3/t21-,22+/m1/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225045
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-pyrroli...)
Show SMILES N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2 |w:11.12,13.13,THB:1:9:14:17.11.12,10:9:14:17.11.12,10:11:18.9.19:14,TEB:12:11:18:19.13.14,12:13:18:17.10.11|
Show InChI InChI=1S/C16H26N2O2/c17-13(14(19)18-3-1-2-4-18)15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,1-10,17H2/t11?,12?,13-,15?,16?/m1/s1
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49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062402
PNG
(1N-cyanoimino(tert-pentylamino)methyl-3-azido-4-io...)
Show SMILES CCC(C)(C)NC(Nc1ccc(I)c(c1)N=[N+]=[N-])=NC#N |w:18.19|
Show InChI InChI=1S/C13H16IN7/c1-4-13(2,3)19-12(17-8-15)18-9-5-6-10(14)11(7-9)20-21-16/h5-7H,4H2,1-3H3,(H2,17,18,19)
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57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004160
PNG
(CHEMBL145036 | Sodium; 4'-(2-butyl-6-chloro-5-etho...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1C([O-])=O |t:4,14|
Show InChI InChI=1S/C27H31ClN2O4/c1-5-7-12-22-29-27(3,4)23(26(33)34-6-2)24(28)30(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(31)32/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,31,32)/p-1
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58n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062394
PNG
(1N-cyanoimino(tert-pentylamino)methyl-4-iodoanilin...)
Show SMILES CCC(C)(C)NC(Nc1ccc(I)cc1)=NC#N |w:15.16|
Show InChI InChI=1S/C13H17IN4/c1-4-13(2,3)18-12(16-9-15)17-11-7-5-10(14)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18)
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74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004163
PNG
(CHEMBL342287 | Sodium; 4'-(2-butyl-5-ethoxycarbony...)
Show SMILES CCCCc1ncc(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C25H26N2O5/c1-3-5-10-22-26-15-21(25(31)32-4-2)23(28)27(22)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(29)30/h6-9,11-15H,3-5,10,16H2,1-2H3,(H,29,30)/p-1
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82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50281272
PNG
((2R,3S)-5-(2-Dimethylamino-ethyl)-8-methoxy-2-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C22H28N2O3S/c1-15-21(16-6-8-17(26-4)9-7-16)28-20-14-18(27-5)10-11-19(20)24(22(15)25)13-12-23(2)3/h6-11,14-15,21H,12-13H2,1-5H3/t15-,21-/m1/s1
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85n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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95n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062396
PNG
(4-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)
Show SMILES CC(NC(Nc1ccc(cc1)C#N)=NC#N)C(C)(C)C |w:13.14|
Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20)
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99n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225076
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)C(C(C)C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C14H26N2O/c1-8(2)12(9(3)4)13(15)14(17)16-6-5-10-7-11(10)16/h8-13H,5-7,15H2,1-4H3/t10-,11+,13+/m1/s1
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112n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin II AT1B


(RAT)
BDBM50004162
PNG
(CHEMBL145276 | Sodium; 4'-(2-butyl-5-ethoxycarbony...)
Show SMILES CCCCc1nc(C)c(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C26H28N2O5/c1-4-6-11-22-27-17(3)23(26(32)33-5-2)24(29)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31)/p-1
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225055
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC1(C)CC(CC(C)(C)C1)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C17H30N2O/c1-16(2)8-12(9-17(3,4)10-16)14(18)15(20)19-6-5-11-7-13(11)19/h11-14H,5-10,18H2,1-4H3/t11-,13+,14+/m1/s1
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152n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062398
PNG
(4-cyanoimino(tert-pentylamino)methylaminobenzonitr...)
Show SMILES CCC(C)(C)NC(Nc1ccc(cc1)C#N)=NC#N |w:16.17|
Show InChI InChI=1S/C14H17N5/c1-4-14(2,3)19-13(17-10-16)18-12-7-5-11(9-15)6-8-12/h5-8H,4H2,1-3H3,(H2,17,18,19)
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004156
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-(4-ch...)
Show SMILES CCCCC1=NC(=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC)c1ccc(Cl)cc1 |c:6,t:4|
Show InChI InChI=1S/C32H33ClN2O4/c1-4-6-11-28-34-30(24-16-18-25(33)19-17-24)29(32(38)39-5-2)21(3)35(28)20-22-12-14-23(15-13-22)26-9-7-8-10-27(26)31(36)37/h7-10,12-19,21H,4-6,11,20H2,1-3H3,(H,36,37)
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225070
PNG
((S)-2-amino-1-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-(3,...)
Show SMILES N[C@H](C(=O)N1CC2CC2C1)C12CC3CC(O)(CC(O)(C3)C1)C2 |w:6.5,8.9,10.25,12.14,14.16,17.19,TLB:19:12:21:20.17.16,19:17:21:13.11.12,THB:11:10:16:13.12.19,11:12:21.10.20:16,1:10:16:13.12.19,TEB:18:17:21:13.11.12,18:17:13:21.10.11|
Show InChI InChI=1S/C17H26N2O3/c18-13(14(20)19-5-11-1-12(11)6-19)15-2-10-3-16(21,7-15)9-17(22,4-10)8-15/h10-13,21-22H,1-9,18H2/t10?,11?,12?,13-,15?,16?,17?/m1/s1
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270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50240750
PNG
(()-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylprop...)
Show SMILES CC(NC(NC#N)=Nc1ccncc1)C(C)(C)C |w:7.7|
Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
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320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062393
PNG
(3-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)
Show SMILES CC(NC(Nc1cccc(c1)C#N)=NC#N)C(C)(C)C |w:13.14|
Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-6-12(8-13)9-16/h5-8,11H,1-4H3,(H2,18,19,20)
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350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225071
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-11(2,3)9(12)10(14)13-5-4-7-6-8(7)13/h7-9H,4-6,12H2,1-3H3/t7-,8+,9-/m1/s1
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356n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062399
PNG
(4-[tert-butylamino(cyanoimino)methylamino]benzonit...)
Show SMILES CC(C)(C)NC(Nc1ccc(cc1)C#N)=NC#N |w:15.16|
Show InChI InChI=1S/C13H15N5/c1-13(2,3)18-12(16-9-15)17-11-6-4-10(8-14)5-7-11/h4-7H,1-3H3,(H2,16,17,18)
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480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50016388
PNG
(5-(2-Dimethylamino-ethyl)-4-methyl-2-(3-nitro-phen...)
Show SMILES COC(=O)C1=C(C)N(CCN(C)C)c2ccccc2SC1c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C22H25N3O4S/c1-15-20(22(26)29-4)21(16-8-7-9-17(14-16)25(27)28)30-19-11-6-5-10-18(19)24(15)13-12-23(2)3/h5-11,14,21H,12-13H2,1-4H3
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505n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-diltiazem binding to calcium channels of guinea pig myocardium


J Med Chem 30: 635-40 (1987)


BindingDB Entry DOI: 10.7270/Q25B01G9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225077
PNG
((2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-3-7(2)10(12)11(14)13-5-4-8-6-9(8)13/h7-10H,3-6,12H2,1-2H3/t7-,8+,9-,10-/m0/s1
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530n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50281271
PNG
((2R,3S)-5-(2-Dimethylamino-ethyl)-2-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C21H26N2O2S/c1-15-20(16-9-11-17(25-4)12-10-16)26-19-8-6-5-7-18(19)23(21(15)24)14-13-22(2)3/h5-12,15,20H,13-14H2,1-4H3/t15-,20-/m1/s1
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540n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225051
PNG
((S)-2-amino-2-(3-hydroxy-5,7-dimethyl-adamantan-1-...)
Show SMILES CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CCCCC1 |w:1.0,3.3,TLB:12:10:8:5.3.2,13:10:8:5.3.2,THB:12:3:9.10.11:8,2:3:9:11.1.8,2:1:9:5.12.3,TEB:4:3:9:11.1.8,4:3:9.10.11:8,0:1:9:5.12.3,0:1:5:9.10.12|
Show InChI InChI=1S/C19H32N2O2/c1-16-8-17(2)10-18(9-16,13-19(23,11-16)12-17)14(20)15(22)21-6-4-3-5-7-21/h14,23H,3-13,20H2,1-2H3/t14-,16?,17?,18?,19?/m1/s1
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607n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50000383
PNG
((3R,4R)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C22H28N2O2/c1-16-20(17-9-11-19(26-4)12-10-17)15-18-7-5-6-8-21(18)24(22(16)25)14-13-23(2)3/h5-12,16,20H,13-15H2,1-4H3/t16-,20-/m1/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50062400
PNG
(1N-cyanoimino(1,2,2-trimethylpropylamino)methylani...)
Show SMILES CC(NC(Nc1ccccc1)=NC#N)C(C)(C)C |w:11.12|
Show InChI InChI=1S/C14H20N4/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,16,17,18)
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680n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225044
PNG
((2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C11H20N2O/c1-3-7(2)10(12)11(14)13-5-4-8-6-9(8)13/h7-10H,3-6,12H2,1-2H3/t7-,8-,9+,10+/m1/s1
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731n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004157
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-6-methy...)
Show SMILES CCCCC1=NC(=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC)c1ccccc1 |c:6,t:4|
Show InChI InChI=1S/C32H34N2O4/c1-4-6-16-28-33-30(25-12-8-7-9-13-25)29(32(37)38-5-2)22(3)34(28)21-23-17-19-24(20-18-23)26-14-10-11-15-27(26)31(35)36/h7-15,17-20,22H,4-6,16,21H2,1-3H3,(H,35,36)
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850n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225060
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C14H17ClN2O/c15-11-3-1-9(2-4-11)7-12(16)14(18)17-6-5-10-8-13(10)17/h1-4,10,12-13H,5-8,16H2/t10-,12+,13+/m1/s1
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877n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004158
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4,6-dim...)
Show SMILES CCCCC1=NC(C)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC |c:7,t:4|
Show InChI InChI=1S/C27H32N2O4/c1-5-7-12-24-28-18(3)25(27(32)33-6-2)19(4)29(24)17-20-13-15-21(16-14-20)22-10-8-9-11-23(22)26(30)31/h8-11,13-16,19H,5-7,12,17H2,1-4H3,(H,30,31)
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990n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225058
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)(C)C[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)7-9(13)11(15)14-5-4-8-6-10(8)14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10+/m1/s1
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1.01E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225075
PNG
((S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-a...)
Show SMILES CC(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12
Show InChI InChI=1S/C10H18N2O/c1-6(2)9(11)10(13)12-4-3-7-5-8(7)12/h6-9H,3-5,11H2,1-2H3/t7-,8+,9+/m1/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50044253
PNG
((3R,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N1CCCC1=O)C#N |r|
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes


J Med Chem 41: 271-5 (1998)


Article DOI: 10.1021/jm970762d
BindingDB Entry DOI: 10.7270/Q2FN159P
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50358883
PNG
(CHEMBL1923468)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCCN(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O |r|
Show InChI InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1
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1.28E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human TPA by Michaelis Menten equation analysis


Bioorg Med Chem Lett 21: 7516-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.098
BindingDB Entry DOI: 10.7270/Q2MK6DBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225046
PNG
((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-(1H-iso...)
Show SMILES N[C@H](C(=O)N1Cc2ccccc2C1)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:16:17:22:14.15.21,THB:16:15:22:23.17.18,18:19:14:23.17.16,18:17:14:19.22.21|
Show InChI InChI=1S/C20H26N2O2/c21-17(18(23)22-10-15-3-1-2-4-16(15)11-22)19-6-13-5-14(7-19)9-20(24,8-13)12-19/h1-4,13-14,17,24H,5-12,21H2/t13?,14?,17-,19?,20?/m1/s1
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1.42E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6476-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.090
BindingDB Entry DOI: 10.7270/Q2B56JGM
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004159
PNG
(CHEMBL343622 | Sodium; 4'-(2-butyl-4-chloro-5-etho...)
Show SMILES CCCCC1=NC(Cl)=C(C(N1Cc1ccc(cc1)-c1ccccc1C([O-])=O)c1ccccc1)C(=O)OCC |c:7,t:4|
Show InChI InChI=1S/C31H31ClN2O4/c1-3-5-15-26-33-29(32)27(31(37)38-4-2)28(23-11-7-6-8-12-23)34(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36/h6-14,16-19,28H,3-5,15,20H2,1-2H3,(H,35,36)/p-1
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1.43E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
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