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Compile Data Set for Download or QSAR

Found 2470 hits with Last Name = 'yue' and Initial = 'ew'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM13465
PNG
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
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180n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay


J Med Chem 48: 6544-8 (2005)


Article DOI: 10.1021/jm0504555
BindingDB Entry DOI: 10.7270/Q2805252
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300312
PNG
(4-amino-1,2,5-oxadiazole-3-carboximidamide | CHEMB...)
Show SMILES Nc1nonc1C(NO)=NCc1ccccc1
Show InChI InChI=1S/C10H11N5O2/c11-9-8(14-17-15-9)10(13-16)12-6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,11,15)(H,12,13)
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1.10E+3n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...


J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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3.40E+4n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Competitive inhibition of IDO1 (unknown origin)


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293912
PNG
((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293912
PNG
((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293974
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(4-methoxy-...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O2/c1-5-15(13-6-7-13)23-10-17(20)22-18(19(23)24)21-14-8-12(3)16(25-4)9-11(14)2/h8-10,13,15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293964
PNG
((S)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM13467
PNG
((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1
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n/an/a 0.400n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293941
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-methoxy-2...)
Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C
Show InChI InChI=1S/C18H22ClN3O2/c1-10-8-15(24-4)11(2)7-14(10)20-17-18(23)22(9-16(19)21-17)12(3)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293941
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-methoxy-2...)
Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C
Show InChI InChI=1S/C18H22ClN3O2/c1-10-8-15(24-4)11(2)7-14(10)20-17-18(23)22(9-16(19)21-17)12(3)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293916
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,6-dichlo...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O
Show InChI InChI=1S/C17H18Cl3N3O2/c1-3-13(9-4-5-9)23-8-14(20)21-16(17(23)24)22-15-11(18)6-10(25-2)7-12(15)19/h6-9,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293935
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[2,6-dichlor...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O
Show InChI InChI=1S/C16H14Cl3F2N3O2/c1-7(8-2-3-8)24-6-12(19)22-14(15(24)25)23-13-10(17)4-9(5-11(13)18)26-16(20)21/h4-8,16H,2-3H2,1H3,(H,22,23)/t7-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293973
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(4-methoxy-...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O2/c1-5-15(13-6-7-13)23-10-16(20)21-18(19(23)24)22-17-11(2)8-14(25-4)9-12(17)3/h8-10,13,15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293914
PNG
((R)-5-chloro-1-(1-cyclopropylpropyl)-3-(2,4-dichlo...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C17H18Cl3N3O/c1-3-13(10-4-5-10)23-8-14(20)21-16(17(23)24)22-15-9(2)6-11(18)7-12(15)19/h6-8,10,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293914
PNG
((R)-5-chloro-1-(1-cyclopropylpropyl)-3-(2,4-dichlo...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C17H18Cl3N3O/c1-3-13(10-4-5-10)23-8-14(20)21-16(17(23)24)22-15-9(2)6-11(18)7-12(15)19/h6-8,10,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing hormone receptor 2


(Sus scrofa)
BDBM50158983
PNG
(CHEMBL439883 | E G P P I S I D L S L E L L R K M I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C202H345N55O64S/c1-29-103(20)156(250-178(298)125(62-71-153(276)277)236-195(315)157(104(21)30-2)251-179(299)126(72-81-322-28)234-169(289)114(49-37-41-76-206)222-170(290)115(50-42-77-216-201(212)213)226-180(300)127(82-96(6)7)240-183(303)130(85-99(12)13)239-177(297)123(60-69-151(272)273)233-181(301)128(83-97(8)9)244-191(311)138(94-258)248-186(306)133(88-102(18)19)243-189(309)136(91-154(278)279)247-196(316)158(105(22)31-3)252-192(312)139(95-259)249-197(317)159(106(23)32-4)253-193(313)140-52-44-80-257(140)199(319)141-53-45-79-256(141)148(267)93-218-164(284)117-57-66-147(266)221-117)194(314)235-124(61-70-152(274)275)176(296)225-112(47-35-39-74-204)167(287)230-120(56-65-144(209)263)173(293)232-122(59-68-150(270)271)175(295)224-113(48-36-40-75-205)168(288)231-121(58-67-149(268)269)174(294)223-111(46-34-38-73-203)166(286)229-119(55-64-143(208)262)172(292)228-118(54-63-142(207)261)165(285)220-108(25)162(282)219-109(26)163(283)237-134(89-145(210)264)188(308)245-135(90-146(211)265)187(307)227-116(51-43-78-217-202(214)215)171(291)238-129(84-98(10)11)182(302)241-131(86-100(14)15)184(304)242-132(87-101(16)17)185(305)246-137(92-155(280)281)190(310)255-161(110(27)260)198(318)254-160(200(320)321)107(24)33-5/h96-141,156-161,258-260H,29-95,203-206H2,1-28H3,(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H,218,284)(H,219,282)(H,220,285)(H,221,266)(H,222,290)(H,223,294)(H,224,295)(H,225,296)(H,226,300)(H,227,307)(H,228,292)(H,229,286)(H,230,287)(H,231,288)(H,232,293)(H,233,301)(H,234,289)(H,235,314)(H,236,315)(H,237,283)(H,238,291)(H,239,297)(H,240,303)(H,241,302)(H,242,304)(H,243,309)(H,244,311)(H,245,308)(H,246,305)(H,247,316)(H,248,306)(H,249,317)(H,250,298)(H,251,299)(H,252,312)(H,253,313)(H,254,318)(H,255,310)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,212,213,216)(H4,214,215,217)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from CRF2 receptor in pig choroid plexus by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293953
PNG
((R)-5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)...)
Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C18H24ClN3O3/c1-6-13(10-24-4)22-9-16(19)21-17(18(22)23)20-14-7-12(3)15(25-5)8-11(14)2/h7-9,13H,6,10H2,1-5H3,(H,20,21)/t13-/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293981
PNG
((R)-5-Chloro-3-(7-chloro-5-methoxyindolin-1-yl)-1-...)
Show SMILES COc1cc2CCN(c2c(Cl)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O
Show InChI InChI=1S/C18H19Cl2N3O2/c1-10(11-3-4-11)23-9-15(20)21-17(18(23)24)22-6-5-12-7-13(25-2)8-14(19)16(12)22/h7-11H,3-6H2,1-2H3/t10-/m1/s1
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n/an/a 0.620n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293952
PNG
(5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)-1-(...)
Show SMILES CCCC(CCC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C20H28ClN3O2/c1-6-8-15(9-7-2)24-12-18(21)23-19(20(24)25)22-16-10-14(4)17(26-5)11-13(16)3/h10-12,15H,6-9H2,1-5H3,(H,22,23)
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n/an/a 0.620n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293913
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4,6-trim...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O/c1-5-15(14-6-7-14)23-10-16(20)21-18(19(23)24)22-17-12(3)8-11(2)9-13(17)4/h8-10,14-15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293913
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4,6-trim...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O/c1-5-15(14-6-7-14)23-10-16(20)21-18(19(23)24)22-17-12(3)8-11(2)9-13(17)4/h8-10,14-15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293951
PNG
(5-Chloro-1-(1-ethylpropyl)-3-(4-methoxy-2,5-dimeth...)
Show SMILES CCC(CC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C18H24ClN3O2/c1-6-13(7-2)22-10-16(19)21-17(18(22)23)20-14-8-12(4)15(24-5)9-11(14)3/h8-10,13H,6-7H2,1-5H3,(H,20,21)
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293930
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trich...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C15H13Cl4N3O/c1-7(8-2-3-8)22-6-12(19)20-14(15(22)23)21-13-10(17)4-9(16)5-11(13)18/h4-8H,2-3H2,1H3,(H,20,21)/t7-/m1/s1
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n/an/a 0.910n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293982
PNG
((R)-3-(7-Bromo-5-methoxyindolin-1-yl)-5-chloro-1-(...)
Show SMILES COc1cc2CCN(c2c(Br)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O
Show InChI InChI=1S/C18H19BrClN3O2/c1-10(11-3-4-11)23-9-15(20)21-17(18(23)24)22-6-5-12-7-13(25-2)8-14(19)16(12)22/h7-11H,3-6H2,1-2H3/t10-/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293929
PNG
((R)-5-Chloro-3-(2-chloro-4,6-dimethylphenylamino)-...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2Cl)c1=O
Show InChI InChI=1S/C17H19Cl2N3O/c1-9-6-10(2)15(13(18)7-9)21-16-17(23)22(8-14(19)20-16)11(3)12-4-5-12/h6-8,11-12H,4-5H2,1-3H3,(H,20,21)/t11-/m1/s1
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n/an/a 0.980n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293910
PNG
((S)-5-chloro-1-(1-cyclopropylethyl)-3-(2,6-dichlor...)
Show SMILES C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O
Show InChI InChI=1S/C16H14Cl3F2N3O2/c1-7(8-2-3-8)24-6-12(19)22-14(15(24)25)23-13-10(17)4-9(5-11(13)18)26-16(20)21/h4-8,16H,2-3H2,1H3,(H,22,23)/t7-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293927
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,6-dichlor...)
Show SMILES COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H16Cl3N3O2/c1-8(9-3-4-9)22-7-13(19)20-15(16(22)23)21-14-11(17)5-10(24-2)6-12(14)18/h5-9H,3-4H2,1-2H3,(H,20,21)/t8-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293927
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,6-dichlor...)
Show SMILES COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H16Cl3N3O2/c1-8(9-3-4-9)22-7-13(19)20-15(16(22)23)21-14-11(17)5-10(24-2)6-12(14)18/h5-9H,3-4H2,1-2H3,(H,20,21)/t8-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293986
PNG
((R)-5-Bromo-1-(1-cyclopropylethyl)-3-[6-methoxy-2-...)
Show SMILES COc1ccc(Nc2nc(Br)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H16BrF3N4O2/c1-8(9-3-4-9)24-7-11(17)22-14(15(24)25)21-10-5-6-12(26-2)23-13(10)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22)/t8-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293942
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-ethoxy-2,...)
Show SMILES CCOc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C
Show InChI InChI=1S/C19H24ClN3O2/c1-5-25-16-9-11(2)15(8-12(16)3)21-18-19(24)23(10-17(20)22-18)13(4)14-6-7-14/h8-10,13-14H,5-7H2,1-4H3,(H,21,22)/t13-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293915
PNG
((R)-3,5-Dichloro-4-[6-chloro-4-(1-cyclopropylpropy...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O
Show InChI InChI=1S/C17H15Cl3N4O/c1-2-13(10-3-4-10)24-8-14(20)22-16(17(24)25)23-15-11(18)5-9(7-21)6-12(15)19/h5-6,8,10,13H,2-4H2,1H3,(H,22,23)/t13-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293937
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4-dichlor...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C16H16Cl3N3O/c1-8-5-11(17)6-12(18)14(8)21-15-16(23)22(7-13(19)20-15)9(2)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3,(H,20,21)/t9-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293915
PNG
((R)-3,5-Dichloro-4-[6-chloro-4-(1-cyclopropylpropy...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O
Show InChI InChI=1S/C17H15Cl3N4O/c1-2-13(10-3-4-10)24-8-14(20)22-16(17(24)25)23-15-11(18)5-9(7-21)6-12(15)19/h5-6,8,10,13H,2-4H2,1H3,(H,22,23)/t13-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293959
PNG
((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(2...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O2/c1-11-7-12(2)17(13(3)8-11)22-18-19(24)23(9-16(20)21-18)15(10-25-4)14-5-6-14/h7-9,14-15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293922
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,6-dichlo...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C17H15Cl3F3N3O/c1-2-12(8-3-4-8)26-7-13(20)24-15(16(26)27)25-14-10(18)5-9(6-11(14)19)17(21,22)23/h5-8,12H,2-4H2,1H3,(H,24,25)/t12-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293960
PNG
((R)-5-Chloro-1-[1-(methoxymethyl)propyl]-3-(2,4,6-...)
Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Show InChI InChI=1S/C18H24ClN3O2/c1-6-14(10-24-5)22-9-15(19)20-17(18(22)23)21-16-12(3)7-11(2)8-13(16)4/h7-9,14H,6,10H2,1-5H3,(H,20,21)/t14-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293978
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-[ethyl(2,4,...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2cc(C)c(C)cc2C)c1=O
Show InChI InChI=1S/C21H28ClN3O/c1-6-17(16-8-9-16)25-12-19(22)23-20(21(25)26)24(7-2)18-11-14(4)13(3)10-15(18)5/h10-12,16-17H,6-9H2,1-5H3/t17-/m1/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293975
PNG
((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...)
Show SMILES CCOc1cc(C)c(Nc2nc(Cl)cn([C@@H](COC)C3CC3)c2=O)cc1C
Show InChI InChI=1S/C20H26ClN3O3/c1-5-27-17-9-12(2)15(8-13(17)3)22-19-20(25)24(10-18(21)23-19)16(11-26-4)14-6-7-14/h8-10,14,16H,5-7,11H2,1-4H3,(H,22,23)/t16-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293925
PNG
((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[2...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C17H15Cl3F3N3O2/c1-28-7-12(8-2-3-8)26-6-13(20)24-15(16(26)27)25-14-10(18)4-9(5-11(14)19)17(21,22)23/h4-6,8,12H,2-3,7H2,1H3,(H,24,25)/t12-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293928
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trime...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Show InChI InChI=1S/C18H22ClN3O/c1-10-7-11(2)16(12(3)8-10)21-17-18(23)22(9-15(19)20-17)13(4)14-5-6-14/h7-9,13-14H,5-6H2,1-4H3,(H,20,21)/t13-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293928
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trime...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Show InChI InChI=1S/C18H22ClN3O/c1-10-7-11(2)16(12(3)8-10)21-17-18(23)22(9-15(19)20-17)13(4)14-5-6-14/h7-9,13-14H,5-6H2,1-4H3,(H,20,21)/t13-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293920
PNG
((R)-3,5-Dichloro-4-{6-chloro-4-[1-(methoxymethyl)p...)
Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O
Show InChI InChI=1S/C16H15Cl3N4O2/c1-3-10(8-25-2)23-7-13(19)21-15(16(23)24)22-14-11(17)4-9(6-20)5-12(14)18/h4-5,7,10H,3,8H2,1-2H3,(H,21,22)/t10-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM13469
PNG
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
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n/an/a 1.70n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293967
PNG
((R)-5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)...)
Show SMILES COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C17H22ClN3O3/c1-10-7-14(24-5)11(2)6-13(10)19-16-17(22)21(8-15(18)20-16)12(3)9-23-4/h6-8,12H,9H2,1-5H3,(H,19,20)/t12-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293917
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,6-dichlo...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c1=O
Show InChI InChI=1S/C17H15Cl3F3N3O2/c1-2-12(8-3-4-8)26-7-13(20)24-15(16(26)27)25-14-10(18)5-9(6-11(14)19)28-17(21,22)23/h5-8,12H,2-4H2,1H3,(H,24,25)/t12-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique


J Med Chem 52: 4161-72 (2009)


Article DOI: 10.1021/jm900302q
BindingDB Entry DOI: 10.7270/Q2WW7JM0
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293985
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[6-methoxy-2...)
Show SMILES COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H16ClF3N4O2/c1-8(9-3-4-9)24-7-11(17)22-14(15(24)25)21-10-5-6-12(26-2)23-13(10)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22)/t8-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50293912
PNG
((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition of CRF-stimulated cAMP production by HTRF method


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM125902
PNG
(US8765727, 5)
Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)
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US Patent
n/an/a 1.90n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50293954
PNG
(5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)-1-[...)
Show SMILES COCC(COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C18H24ClN3O4/c1-11-7-15(26-5)12(2)6-14(11)20-17-18(23)22(8-16(19)21-17)13(9-24-3)10-25-4/h6-8,13H,9-10H2,1-5H3,(H,20,21)
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting


J Med Chem 52: 4173-91 (2009)


Article DOI: 10.1021/jm900301y
BindingDB Entry DOI: 10.7270/Q2G44Q9K
More data for this
Ligand-Target Pair
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