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Compile Data Set for Download or QSAR

Found 2719 hits with Last Name = 'lawrence' and Initial = 'rm'   
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
Motilin receptor


(Homo sapiens (Human))		BDBM50143028
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor

J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))		BDBM50143032
PNG
(8'N-[1-(1-carbamoyl-3-phenylpropylcarbamoyl)-3-phe...)
Show SMILES NC(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)
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 1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor

J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))		BDBM50143038
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:30|
Show InChI InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1
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 2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor

J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))		BDBM50143039
PNG
(8'N-[1-[1-carbamoyl-3-phenyl-(1R)-propylcarbamoyl]...)
Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m1/s1
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 2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor

J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))		BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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 3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor

J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
More data for this
Ligand-Target Pair
Motilin receptor


(Homo sapiens (Human))		BDBM50344952
PNG
((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)|
Show InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
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 3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human motilin receptor

J Med Chem 47: 1704-8 (2004)


Article DOI: 10.1021/jm0304865
BindingDB Entry DOI: 10.7270/Q2571CRC
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)
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429537
PNG
(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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 6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429535
PNG
(CHEMBL2333772)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
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 7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429541
PNG
(CHEMBL2333766)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
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 7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
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 8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429534
PNG
(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
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 16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429548
PNG
(CHEMBL2333759)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)15-7-4-5-9-19(15)29-20-18(8-6-12-25-20)27-21(28)26-17-11-10-14(23)13-16(17)24/h4-13H,1-3H3,(H2,26,27,28)
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 18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429538
PNG
(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
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 20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429557
PNG
(CHEMBL2333357)
Show SMILES COc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O3/c1-28-15-9-7-14(8-10-15)25-19(27)26-17-6-3-11-24-18(17)29-16-5-2-4-13(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
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 21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429546
PNG
(CHEMBL2333761)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C21H19F2N3O2/c1-13(2)15-6-3-4-8-19(15)28-20-18(7-5-11-24-20)26-21(27)25-17-10-9-14(22)12-16(17)23/h3-13H,1-2H3,(H2,25,26,27)
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 28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429558
PNG
(CHEMBL2333356)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C25H18F3N3O2/c26-25(27,28)19-8-4-9-21(16-19)33-23-22(10-5-15-29-23)31-24(32)30-20-13-11-18(12-14-20)17-6-2-1-3-7-17/h1-16H,(H2,30,31,32)
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 28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429560
PNG
(CHEMBL2333354)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O2/c1-22(2,3)15-9-11-17(12-10-15)28-21(30)29-19-8-5-13-27-20(19)31-18-7-4-6-16(14-18)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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 31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429547
PNG
(CHEMBL2333760)
Show SMILES CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)14-6-4-7-16(12-14)29-20-19(8-5-11-25-20)27-21(28)26-18-10-9-15(23)13-17(18)24/h4-13H,1-3H3,(H2,26,27,28)
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 33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429567
PNG
(CHEMBL2333776)
Show SMILES Fc1ccccc1NC(=O)Nc1cccnc1Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H13F4N3O2/c20-14-7-1-2-8-15(14)25-18(27)26-16-9-4-10-24-17(16)28-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H2,25,26,27)
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 47n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429561
PNG
(CHEMBL2333353)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O2/c1-13-7-9-15(10-8-13)25-19(27)26-17-6-3-11-24-18(17)28-16-5-2-4-14(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
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 48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429562
PNG
(CHEMBL2333352)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H13ClF3N3O2/c20-13-6-8-14(9-7-13)25-18(27)26-16-5-2-10-24-17(16)28-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H2,25,26,27)
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 69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429569
PNG
(CHEMBL2333774)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5N3O2/c20-12-6-7-15(14(21)10-12)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28)
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 75n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429545
PNG
(CHEMBL2333762)
Show SMILES CCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C20H17F2N3O2/c1-2-13-6-3-4-8-18(13)27-19-17(7-5-11-23-19)25-20(26)24-16-10-9-14(21)12-15(16)22/h3-12H,2H2,1H3,(H2,24,25,26)
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 77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429553
PNG
(CHEMBL2333361)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C19H12Cl2F3N3O2/c20-14-7-6-12(10-15(14)21)26-18(28)27-16-5-2-8-25-17(16)29-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H2,26,27,28)
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 84n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429564
PNG
(CHEMBL2333350)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C19H13ClF3N3O2/c20-13-5-2-6-14(11-13)25-18(27)26-16-8-3-9-24-17(16)28-15-7-1-4-12(10-15)19(21,22)23/h1-11H,(H2,25,26,27)
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 128n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429563
PNG
(CHEMBL2333351)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H13F4N3O2/c20-13-6-8-14(9-7-13)25-18(27)26-16-5-2-10-24-17(16)28-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H2,25,26,27)
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 145n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429552
PNG
(CHEMBL2333756)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C19H12Cl2F3N3O2/c20-12-8-13(21)10-14(9-12)26-18(28)27-16-5-2-6-25-17(16)29-15-4-1-3-11(7-15)19(22,23)24/h1-10H,(H2,26,27,28)
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 169n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429568
PNG
(CHEMBL2333775)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C19H14F3N3O2/c20-19(21,22)13-6-4-9-15(12-13)27-17-16(10-5-11-23-17)25-18(26)24-14-7-2-1-3-8-14/h1-12H,(H2,24,25,26)
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 171n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429544
PNG
(CHEMBL2333763)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28)
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 172n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429540
PNG
(CHEMBL2333768)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Nc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H26N4O/c1-16-11-13-17(14-12-16)25-22(28)27-20-10-7-15-24-21(20)26-19-9-6-5-8-18(19)23(2,3)4/h5-15H,1-4H3,(H,24,26)(H2,25,27,28)
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 175n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429559
PNG
(CHEMBL2333355)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H13F6N3O3/c21-19(22,23)12-3-1-4-15(11-12)31-17-16(5-2-10-27-17)29-18(30)28-13-6-8-14(9-7-13)32-20(24,25)26/h1-11H,(H2,28,29,30)
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 313n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429556
PNG
(CHEMBL2333358)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O2/c1-28(2)16-10-8-15(9-11-16)26-20(29)27-18-7-4-12-25-19(18)30-17-6-3-5-14(13-17)21(22,23)24/h3-13H,1-2H3,(H2,26,27,29)
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 506n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429555
PNG
(CHEMBL2333359)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-4-16(11-14)29-18-17(5-2-10-25-18)27-19(28)26-15-8-6-13(12-24)7-9-15/h1-11H,(H2,26,27,28)
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 571n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429565
PNG
(CHEMBL2333349)
Show SMILES Fc1cccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H13F4N3O2/c20-13-5-2-6-14(11-13)25-18(27)26-16-8-3-9-24-17(16)28-15-7-1-4-12(10-15)19(21,22)23/h1-11H,(H2,25,26,27)
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 607n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429554
PNG
(CHEMBL2333360)
Show SMILES COC(=O)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3N3O4/c1-30-19(28)13-7-9-15(10-8-13)26-20(29)27-17-6-3-11-25-18(17)31-16-5-2-4-14(12-16)21(22,23)24/h2-12H,1H3,(H2,26,27,29)
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 644n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
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
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429549
PNG
(CHEMBL2333758)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2)c(F)c1
Show InChI InChI=1S/C18H13F2N3O2/c19-12-8-9-15(14(20)11-12)22-18(24)23-16-7-4-10-21-17(16)25-13-5-2-1-3-6-13/h1-11H,(H2,22,23,24)
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 2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50429538
PNG
(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
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 2.35E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y14 receptor

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50429538
PNG
(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
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 2.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
Prothrombin


(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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 3.28E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin 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
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50429534
PNG
(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
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 3.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y14 receptor

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50429537
PNG
(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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 3.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y14 receptor

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
Coagulation factor VII


(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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 3.68E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a 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
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429543
PNG
(CHEMBL2333764)
Show SMILES Fc1ccc(NC(=O)Nc2cccnc2Oc2ccc(cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5N3O2/c20-12-5-8-15(14(21)10-12)26-18(28)27-16-2-1-9-25-17(16)29-13-6-3-11(4-7-13)19(22,23)24/h1-10H,(H2,26,27,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429542
PNG
(CHEMBL2333765)
Show SMILES Cc1ccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C19H15F2N3O2/c1-12-4-7-14(8-5-12)26-18-17(3-2-10-22-18)24-19(25)23-16-9-6-13(20)11-15(16)21/h2-11H,1H3,(H2,23,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429550
PNG
(CHEMBL2331579)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)16-8-4-9-17(14-16)29-19-18(10-5-12-25-19)27-20(28)26-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H2,26,27,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429566
PNG
(CHEMBL2333348)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)Nc2ccccc2Cl)c1
Show InChI InChI=1S/C19H13ClF3N3O2/c20-14-7-1-2-8-15(14)25-18(27)26-16-9-4-10-24-17(16)28-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H2,25,26,27)
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429551
PNG
(CHEMBL2333757)
Show SMILES FC(F)(F)c1cccc(Oc2ncccc2NC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)28-18-17(10-5-11-24-18)26-19(27)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,25,26,27)
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50429539
PNG
(CHEMBL2333769)
Show SMILES CN(c1ccccc1C(C)(C)C)c1ncccc1NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C24H28N4O/c1-17-12-14-18(15-13-17)26-23(29)27-20-10-8-16-25-22(20)28(5)21-11-7-6-9-19(21)24(2,3)4/h6-16H,1-5H3,(H2,26,27,29)
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...

J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
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