new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1721 hits with Last Name = 'jeon' and Initial = 'y'   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.170n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Alpha1A human adrenergic receptors, using [125I]-HEAT as radioligand.


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.230n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha1A dog adrenergic receptors, using [125I]HEAT as radioligand.


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.360n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha1A rat adrenergic receptors, using [125I]HEAT as radioligand.


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335990
PNG
(4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- ...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)C(O)=O |c:24|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335779
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2cnc(O)nc2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:35|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335984
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.520n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335977
PNG
(4-(2-(3-(3-chloro-2,6- difluorophenyl)-4,5- dihydr...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1c(F)ccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |c:24|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.640n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335801
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-imidazol...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(cn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.920n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335873
PNG
((S)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-(1-(3-chloro-2...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.960n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335755
PNG
((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.08n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335974
PNG
(4-(2-(3-(3-chloro-2- fluorophenyl)-4,5- dihydroiso...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |c:24|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245383
PNG
(US9428504, 133)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)-c2nc3cc(Cl)ccc3s2)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1
Show InChI InChI=1S/C38H36ClFN6O2S2/c1-37(2,3)20-45-16-14-38(15-17-45)21-46(33-29(47)12-10-24(32(33)38)34-41-27-18-22(39)8-13-30(27)49-34)28-7-5-4-6-25(28)42-35(48)44-36-43-26-11-9-23(40)19-31(26)50-36/h4-13,18-19,47H,14-17,20-21H2,1-3H3,(H2,42,43,44,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20 -50.9n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335799
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-imidazole- 4...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(cn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335975
PNG
(4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- ...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)C2CC(=NO2)c2cccc(Cl)c2)cc1 |c:39|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335982
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335871
PNG
(N-(4-(1H-Pyrazol-4-yl)phenyl)-2-(1-(3-chloro-2-flu...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.39n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335794
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- t...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.39n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336111
PNG
(4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...)
Show SMILES CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r,c:30|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335764
PNG
(4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...)
Show SMILES CNC(=O)c1ccc(cn1)-c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r,c:27|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335874
PNG
(N-(4-(1H-Tetrazol-5-yl)phenyl)-2-(1-(3-chloro-2-fl...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)-c1nnn[nH]1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335870
PNG
((S)-N-(4-Carbamoylphenyl)-2-(1-(3-chloro-2-fluorop...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.75n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335797
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-pyrazole...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cnn(c1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.79n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336064
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3-tr...)
Show SMILES CN1CCN(CC1=O)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336056
PNG
(4-(2-(3-(3-chloro-2- fluorophenyl)-4,5- dihydroiso...)
Show SMILES CN1CCN(CC1=O)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |c:25|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.87n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245297
PNG
(US9428504, 35)
Show SMILES CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3F)n1
Show InChI InChI=1S/C29H37FN6O2S/c1-18(2)25-32-27(39-34-25)33-26(38)31-20-8-6-7-9-21(20)36-17-29(23-19(30)10-11-22(37)24(23)36)12-14-35(15-13-29)16-28(3,4)5/h6-11,18,37H,12-17H2,1-5H3,(H2,31,32,33,34,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.90 -49.8n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335993
PNG
(Ethyl 4-(2-(1-(3-chloro-2-fluorophenyl)-1H-1,2,3-t...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336054
PNG
(4-(2-(3-(3-chloro-2- fluorophenyl)-4,5- dihydroiso...)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |c:28|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.98n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335878
PNG
(4-(5-(Aminomethyl)-2-(1-(3-chloro-2-fluorophenyl)-...)
Show SMILES NCc1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335965
PNG
(4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(NC(=O)NC4CCCC4)cccc23)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335751
PNG
(4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336072
PNG
(4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:33|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335932
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3-c2ccc3cn[nH]c3c2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335812
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- t...)
Show SMILES CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335784
PNG
(4-(5-(6-aminopyridin-3- yl)-2-(1-(3-chloro-2- fluo...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc(N)nc2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:35|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.63n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336066
PNG
(4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2=O)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:34|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.63n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335809
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-imidazol...)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(cn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335868
PNG
(N-(4-Carbamoylphenyl)-2-(1-(3-chloro-2-fluoropheny...)
Show SMILES CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(N)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335785
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc3CNCCc3c2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:39|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335985
PNG
(4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyr...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cnn(c1N)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335762
PNG
(4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3-c2cncnc2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:33|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335990
PNG
(4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- ...)
Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)C(O)=O |c:24|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335881
PNG
(4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol...)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(OC4CCNCC4)cccc23)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245282
PNG
(US9428504, 20)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C31H33F5N4O2/c1-29(2,3)17-39-14-12-30(13-15-39)18-40(27-25(41)11-9-20(26(27)30)31(34,35)36)24-7-5-4-6-23(24)38-28(42)37-22-10-8-19(32)16-21(22)33/h4-11,16,41H,12-15,17-18H2,1-3H3,(H2,37,38,42)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.20 -48.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM336070
PNG
(4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...)
Show SMILES COc1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r,c:18|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335804
PNG
((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- t...)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335789
PNG
((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...)
Show SMILES CNC(=O)c1ccc(cn1)-c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015276
PNG
(CHEMBL3263056 | US9428504, 166 | US9428504, 167)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
3.30 -48.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245275
PNG
(US9428504, 13)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ncccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C34H42F3N5O2/c1-31(2,3)20-41-18-15-33(16-19-41)21-42(28-26(43)14-13-24(27(28)33)34(35,36)37)29-25(8-7-17-38-29)40-30(44)39-23-11-9-22(10-12-23)32(4,5)6/h7-14,17,43H,15-16,18-21H2,1-6H3,(H2,39,40,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.30 -48.4n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245302
PNG
(US9428504, 42)
Show SMILES Cc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1
Show InChI InChI=1S/C27H33ClN6O2S/c1-17-29-25(37-32-17)31-24(36)30-19-7-5-6-8-20(19)34-16-27(22-18(28)9-10-21(35)23(22)34)11-13-33(14-12-27)15-26(2,3)4/h5-10,35H,11-16H2,1-4H3,(H2,29,30,31,32,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.30 -48.4n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335753
PNG
(4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-pyrazole-4-ca...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cccc2C(N(CCc12)C(=O)c1cnn(c1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1721 total )  |  Next  |  Last  >>
Jump to: