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Compile Data Set for Download or QSAR

Found 1258 hits of ic50 data for polymerid = 3623,49000432,5588   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM581978
PNG
(DNPSLSIDLTFHLLRTLLELARTQSQRERAEQNRIIFDSV-NH2 (hUcn...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(N)=O
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WIPO WO2023285347
n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Receptor SPA binding assays were performed in white 96-well plates in a total volume of 200 mI per well. Freeze dried analogues were dissolved in 80%...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63Z2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300149
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(6-(difluor...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H21ClF2N4O2/c1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21/h7-8,11,13,18H,4-6H2,1-3H3,(H,23,24)/t13-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50026981
PNG
(CHEMBL2370939)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCC(=O)NNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C186H312N52O55/c1-27-31-47-107(206-153(264)108(48-35-39-70-187)207-157(268)112(52-43-74-200-183(195)196)211-171(282)126(80-96(13)14)231-181(292)185(25,87-97(15)16)235-177(288)128(82-106-89-199-91-202-106)227-172(283)127(81-105-45-33-32-34-46-105)226-176(287)133(90-239)230-170(281)125(79-95(11)12)225-175(286)131(85-144(256)257)205-104(24)240)165(276)232-147(100(20)29-3)180(291)220-121(61-69-143(254)255)166(277)233-148(101(21)30-4)179(290)219-120(60-68-142(252)253)164(275)210-109(49-36-40-71-188)154(265)213-114(54-62-134(191)241)160(271)218-118(58-66-140(248)249)162(273)209-110(50-37-41-72-189)155(266)216-117(57-65-139(246)247)161(272)208-111(51-38-42-73-190)156(267)217-119(59-67-141(250)251)163(274)214-115(55-63-135(192)242)159(270)215-116-56-64-137(244)237-238-138(245)84-130(221-151(262)103(23)203-150(261)102(22)204-152(116)263)174(285)228-129(83-136(193)243)173(284)212-113(53-44-75-201-184(197)198)158(269)222-122(76-92(5)6)167(278)223-123(77-93(7)8)168(279)224-124(78-94(9)10)169(280)229-132(86-145(258)259)178(289)236-186(26,88-98(17)18)182(293)234-146(149(194)260)99(19)28-2/h32-34,45-46,89,91-103,107-133,146-148,239H,27-31,35-44,47-88,90,187-190H2,1-26H3,(H2,191,241)(H2,192,242)(H2,193,243)(H2,194,260)(H,199,202)(H,203,261)(H,204,263)(H,205,240)(H,206,264)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,282)(H,212,284)(H,213,265)(H,214,274)(H,215,270)(H,216,266)(H,217,267)(H,218,271)(H,219,290)(H,220,291)(H,221,262)(H,222,269)(H,223,278)(H,224,279)(H,225,286)(H,226,287)(H,227,283)(H,228,285)(H,229,280)(H,230,281)(H,231,292)(H,232,276)(H,233,277)(H,234,293)(H,235,288)(H,236,289)(H,237,244)(H,238,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,195,196,200)(H4,197,198,201)/t99-,100-,101-,102+,103-,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-,146-,147-,148-,185-,186-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant corticotropin releasing factor receptor 1 assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine


J Med Chem 45: 4737-47 (2002)


BindingDB Entry DOI: 10.7270/Q2WQ04JR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300145
PNG
((S)-5-Chloro-1-(cyclopropyl-2-methoxyethyl)-3-[6-(...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m1/s1
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n/an/a 0.240n/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


Bioorg Med Chem Lett 20: 1890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.129
BindingDB Entry DOI: 10.7270/Q29G5MZ4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300145
PNG
((S)-5-Chloro-1-(cyclopropyl-2-methoxyethyl)-3-[6-(...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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 1


(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 |r|
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 1


(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 |r|
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 Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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 1


(Rattus norvegicus (rat))
BDBM50300136
PNG
((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(6-methoxy-...)
Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
Show InChI InChI=1S/C18H23ClN4O2/c1-5-14(12-6-7-12)23-9-15(19)22-16(18(23)24)21-13-8-10(2)17(25-4)20-11(13)3/h8-9,12,14H,5-7H2,1-4H3,(H,21,22)/t14-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300145
PNG
((S)-5-Chloro-1-(cyclopropyl-2-methoxyethyl)-3-[6-(...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting analysis


Bioorg Med Chem Lett 26: 2184-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.067
BindingDB Entry DOI: 10.7270/Q2KK9FVR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300142
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[6-(difluoro...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C17H19ClF2N4O2/c1-8-6-12(9(2)21-15(8)26-17(19)20)22-14-16(25)24(7-13(18)23-14)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50155982
PNG
(8-(Butyl-ethyl-amino)-4-(2-chloro-4-methoxy-phenyl...)
Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1Cl
Show InChI InChI=1S/C21H27ClN4O2/c1-5-7-10-25(6-2)18-11-14(3)23-21-20(18)24-19(27)13-26(21)17-9-8-15(28-4)12-16(17)22/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,24,27)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1


J Med Chem 47: 5783-90 (2004)


Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300142
PNG
((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[6-(difluoro...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C17H19ClF2N4O2/c1-8-6-12(9(2)21-15(8)26-17(19)20)22-14-16(25)24(7-13(18)23-14)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1
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n/an/a 0.300n/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


Bioorg Med Chem Lett 20: 1890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.129
BindingDB Entry DOI: 10.7270/Q29G5MZ4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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 1


(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 |r|
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 1


(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 |r|
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 1


(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 |r|
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 1


(Rattus norvegicus (rat))
BDBM50432097
PNG
(CHEMBL2349560)
Show SMILES COc1cc(Cl)c(Nc2nc(Br)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 |r|
Show InChI InChI=1S/C18H19BrCl2FN3O3/c1-27-11-6-12(20)16(13(21)7-11)24-17-18(26)25(8-15(19)23-17)14(10-2-3-10)9-28-5-4-22/h6-8,10,14H,2-5,9H2,1H3,(H,23,24)/t14-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting


Bioorg Med Chem Lett 23: 2052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.009
BindingDB Entry DOI: 10.7270/Q2DR2WW3
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50432099
PNG
(CHEMBL2349558)
Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)cc1C |r|
Show InChI InChI=1S/C20H25ClFN3O3/c1-12-9-17(27-3)13(2)8-15(12)23-19-20(26)25(10-18(21)24-19)16(14-4-5-14)11-28-7-6-22/h8-10,14,16H,4-7,11H2,1-3H3,(H,23,24)/t16-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting


Bioorg Med Chem Lett 23: 2052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.009
BindingDB Entry DOI: 10.7270/Q2DR2WW3
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50155974
PNG
(8-(Butyl-ethyl-amino)-4-(2,4-dichloro-phenyl)-6-me...)
Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H24Cl2N4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27)
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n/an/a 0.490n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1


J Med Chem 47: 5783-90 (2004)


Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300144
PNG
((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[6...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50155964
PNG
(8-(Butyl-ethyl-amino)-4-(2-chloro-5-fluoro-4-metho...)
Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1cc(F)c(OC)cc1Cl
Show InChI InChI=1S/C21H26ClFN4O2/c1-5-7-8-26(6-2)17-9-13(3)24-21-20(17)25-19(28)12-27(21)16-11-15(23)18(29-4)10-14(16)22/h9-11H,5-8,12H2,1-4H3,(H,25,28)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1


J Med Chem 47: 5783-90 (2004)


Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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 1


(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 |r|
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 factor receptor 1


(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 |r|
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 1


(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 |r|
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 1


(Rattus norvegicus (rat))
BDBM50432098
PNG
(CHEMBL2349559)
Show SMILES COc1cc(Cl)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 |r|
Show InChI InChI=1S/C18H19Cl3FN3O3/c1-27-11-6-12(19)16(13(20)7-11)24-17-18(26)25(8-15(21)23-17)14(10-2-3-10)9-28-5-4-22/h6-8,10,14H,2-5,9H2,1H3,(H,23,24)/t14-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting


Bioorg Med Chem Lett 23: 2052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.009
BindingDB Entry DOI: 10.7270/Q2DR2WW3
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50432102
PNG
(CHEMBL2349570)
Show SMILES COc1cc(C)c(Nc2nc(C)cn([C@@H](CF)C3CC3)c2=O)cc1C |r|
Show InChI InChI=1S/C19H24FN3O2/c1-11-8-17(25-4)12(2)7-15(11)22-18-19(24)23(10-13(3)21-18)16(9-20)14-5-6-14/h7-8,10,14,16H,5-6,9H2,1-4H3,(H,21,22)/t16-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting


Bioorg Med Chem Lett 23: 2052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.009
BindingDB Entry DOI: 10.7270/Q2DR2WW3
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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 1


(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 1


(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 |r|
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 1


(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 |r|
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 1


(Rattus norvegicus (rat))
BDBM50313860
PNG
((R)-5-chloro-1-(1-cyclopropylethyl)-3-(6-(dimethyl...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(nc2C)N(C)C)c1=O |r|
Show InChI InChI=1S/C18H24ClN5O/c1-10-8-14(11(2)20-17(10)23(4)5)21-16-18(25)24(9-15(19)22-16)12(3)13-6-7-13/h8-9,12-13H,6-7H2,1-5H3,(H,21,22)/t12-/m1/s1
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n/an/a 0.680n/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


Bioorg Med Chem Lett 20: 1890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.129
BindingDB Entry DOI: 10.7270/Q29G5MZ4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50387635
PNG
(CHEMBL2058338)
Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC)cc3Cl)c2nc(C)c1=O
Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)19(28-4)11-17(16)23/h8-11,14,18H,5-7H2,1-4H3
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n/an/a 0.680n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R


Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50395826
PNG
(CHEMBL2165202)
Show SMILES COCC(COC)n1cc(Br)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C18H24BrN3O4/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 0.680n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50155967
PNG
(4-(2-Bromo-4-isopropyl-phenyl)-8-(butyl-ethyl-amin...)
Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C23H31BrN4O/c1-6-8-11-27(7-2)20-12-16(5)25-23-22(20)26-21(29)14-28(23)19-10-9-17(15(3)4)13-18(19)24/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,26,29)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1


J Med Chem 47: 5783-90 (2004)


Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50370170
PNG
(CHEMBL1794009)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@H](C)CC)C(N)=O
Show InChI InChI=1S/C161H269N49O42/c1-23-27-41-96(189-145(239)107(52-59-123(217)218)199-152(246)114(71-84(13)14)207-157(251)126(85(15)16)208-147(241)108(53-60-124(219)220)197-140(234)102(47-38-66-179-161(172)173)193-151(245)112(69-82(9)10)204-153(247)113(70-83(11)12)205-155(249)116(74-94-77-175-79-181-94)201-134(228)95(163)72-92-39-30-29-31-40-92)135(229)182-88(19)130(224)186-100(45-36-64-177-159(168)169)136(230)183-89(20)131(225)188-106(51-58-122(215)216)144(238)195-104(49-56-119(165)212)146(240)202-110(67-80(5)6)149(243)185-90(21)132(226)187-103(48-55-118(164)211)143(237)196-105-50-57-121(214)176-63-35-33-44-99(192-154(248)115(73-93-76-174-78-180-93)200-133(227)91(22)184-137(105)231)142(236)206-117(75-120(166)213)156(250)194-101(46-37-65-178-160(170)171)139(233)190-98(43-32-34-62-162)141(235)203-111(68-81(7)8)150(244)191-97(42-28-24-2)138(232)198-109(54-61-125(221)222)148(242)210-128(87(18)26-4)158(252)209-127(129(167)223)86(17)25-3/h29-31,39-40,76-91,95-117,126-128H,23-28,32-38,41-75,162-163H2,1-22H3,(H2,164,211)(H2,165,212)(H2,166,213)(H2,167,223)(H,174,180)(H,175,181)(H,176,214)(H,182,229)(H,183,230)(H,184,231)(H,185,243)(H,186,224)(H,187,226)(H,188,225)(H,189,239)(H,190,233)(H,191,244)(H,192,248)(H,193,245)(H,194,250)(H,195,238)(H,196,237)(H,197,234)(H,198,232)(H,199,246)(H,200,227)(H,201,228)(H,202,240)(H,203,235)(H,204,247)(H,205,249)(H,206,236)(H,207,251)(H,208,241)(H,209,252)(H,210,242)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,168,169,177)(H4,170,171,178)(H4,172,173,179)/t86-,87-,88+,89+,90+,91+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115-,116+,117+,126+,127+,128+/m1/s1
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n/an/a 0.720n/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant corticotropin releasing factor receptor 1 assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine


J Med Chem 45: 4737-47 (2002)


BindingDB Entry DOI: 10.7270/Q2WQ04JR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50501032
PNG
(CHEMBL3799870)
Show SMILES Cc1cc(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3)C3CC3)c2=O)c(C)nc1OC(F)F |r|
Show InChI InChI=1S/C24H24ClF2N5O4/c1-13-10-17(14(2)28-21(13)36-23(26)27)30-20-22(33)32(11-19(25)31-20)18(15-8-9-15)12-35-24(34)29-16-6-4-3-5-7-16/h3-7,10-11,15,18,23H,8-9,12H2,1-2H3,(H,29,34)(H,30,31)/t18-/m1/s1
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n/an/a 0.740n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting analysis


Bioorg Med Chem Lett 26: 2184-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.067
BindingDB Entry DOI: 10.7270/Q2KK9FVR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 1


(Rattus norvegicus (rat))
BDBM50313869
PNG
((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6...)
Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C17H19ClF2N4O3/c1-9-11(5-6-14(21-9)27-17(19)20)22-15-16(25)24(7-13(18)23-15)12(8-26-2)10-3-4-10/h5-7,10,12,17H,3-4,8H2,1-2H3,(H,22,23)/t12-/m0/s1
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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


Bioorg Med Chem Lett 20: 1890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.129
BindingDB Entry DOI: 10.7270/Q29G5MZ4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300146
PNG
((R)-4-(1-Cyclopropylethyl)-6-(6-(difluoromethoxy)-...)
Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C17H16ClF2N5O2/c1-8-12(5-11(6-21)15(22-8)27-17(19)20)23-14-16(26)25(7-13(18)24-14)9(2)10-3-4-10/h5,7,9-10,17H,3-4H2,1-2H3,(H,23,24)/t9-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM20977
PNG
(8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl...)
Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC
Show InChI InChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27)
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n/an/a 0.820n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1


J Med Chem 47: 5783-90 (2004)


Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM20977
PNG
(8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl...)
Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC
Show InChI InChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27)
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n/an/a 0.820n/an/an/an/a7.023



Bristol-Myers Squibb Company



Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro.


J Med Chem 50: 2269-72 (2007)


Article DOI: 10.1021/jm0611410
BindingDB Entry DOI: 10.7270/Q25Q4TCS
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50387601
PNG
(CHEMBL2058596)
Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(F)c(cc3Cl)N(C)C)c2nc(C)c1=O
Show InChI InChI=1S/C22H24ClFN4O/c1-5-18(13-6-7-13)28-21-20(26-12(2)22(28)29)14(8-9-25-21)15-10-17(24)19(27(3)4)11-16(15)23/h8-11,13,18H,5-7H2,1-4H3
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n/an/a 0.820n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R


Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50300147
PNG
((S)-4-(1-Cyclopropyl-2-methoxyethyl)-6-[6-(difluor...)
Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H18ClF2N5O3/c1-9-12(5-11(6-22)16(23-9)29-18(20)21)24-15-17(27)26(7-14(19)25-15)13(8-28-2)10-3-4-10/h5,7,10,13,18H,3-4,8H2,1-2H3,(H,24,25)/t13-/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay


J Med Chem 52: 7653-68 (2009)


Article DOI: 10.1021/jm900716v
BindingDB Entry DOI: 10.7270/Q2CN740W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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 |r|
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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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.880n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50320241
PNG
(1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylp...)
Show SMILES CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-6-16(14-7-8-14)23-19(24)18(20-13(4)22-23)21-15-9-12(3)17(25-5)10-11(15)2/h9-10,14,16H,6-8H2,1-5H3,(H,20,21,22)
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n/an/a 0.890n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-ovine CRF from rat CRF1 receptor


Bioorg Med Chem Lett 20: 3579-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.121
BindingDB Entry DOI: 10.7270/Q2SX6DDP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
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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Salk Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant corticotropin releasing factor receptor 1 assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine


J Med Chem 45: 4737-47 (2002)


BindingDB Entry DOI: 10.7270/Q2WQ04JR
More data for this
Ligand-Target Pair
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