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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'brenner' and Initial = 'ab'   
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
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))
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))
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))
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))
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))
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))
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]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 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 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))
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]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))
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))
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


(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 |r|
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 1


(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 |r|
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 1


(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 |r|
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 1


(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 |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-/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 1


(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 |r|
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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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))
BDBM50320261
PNG
(1-(1-cyclopropyl-2-methoxyethyl)-5-(6-(difluoromet...)
Show SMILES COCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
Show InChI InChI=1S/C18H23F2N5O3/c1-9-7-13(10(2)21-16(9)28-18(19)20)23-15-17(26)25(24-11(3)22-15)14(8-27-4)12-5-6-12/h7,12,14,18H,5-6,8H2,1-4H3,(H,22,23,24)
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n/an/a 1.10n/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


(Rattus norvegicus (rat))
BDBM50320271
PNG
((R)-1-(1-cyclopropyl-2-methoxyethyl)-5-(6-(difluor...)
Show SMILES COC[C@@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
Show InChI InChI=1S/C18H23F2N5O3/c1-9-7-13(10(2)21-16(9)28-18(19)20)23-15-17(26)25(24-11(3)22-15)14(8-27-4)12-5-6-12/h7,12,14,18H,5-6,8H2,1-4H3,(H,22,23,24)/t14-/m0/s1
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n/an/a 1.10n/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


(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 |r|
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 1


(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 |r|
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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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 1


(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 |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
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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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))
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 |r|
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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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))
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 |r|
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 1


(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 |r|
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 1


(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 |r|
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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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 1


(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 |r|
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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n/an/a 1.30n/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))
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 |r|
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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n/an/a 1.30n/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))
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 |r|
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 1


(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 |r|
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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n/an/a 1.5n/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))
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 |r|
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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n/an/a 1.5n/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))
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 |r|
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 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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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 1


(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 |r|
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
Corticotropin-releasing factor receptor 1


(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 |r|
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 1


(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 |r|
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 1


(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 |r|
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


(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 |r|
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 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 |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 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50410099
PNG
(CHEMBL179767)
Show SMILES N#Cc1ccc2[nH]cc(SC[C@@H]3C[N@]4CC[C@H]3CC4)c2c1 |wU:13.12,11.10,16.17,TLB:10:11:15.14:17.18,(-6.29,-.5,;-4.96,-1.27,;-3.63,-2.05,;-3.63,-3.57,;-2.3,-4.35,;-.97,-3.57,;.5,-4.04,;1.41,-2.8,;.5,-1.57,;.96,-.1,;2.47,.23,;2.94,1.69,;4.43,2.02,;2.77,4.11,;1.27,3.79,;.42,2.51,;1.91,2.83,;2.1,4.56,;3.24,5.58,;-.97,-2.05,;-2.3,-1.27,)|
Show InChI InChI=1S/C17H19N3S/c18-8-12-1-2-16-15(7-12)17(9-19-16)21-11-14-10-20-5-3-13(14)4-6-20/h1-2,7,9,13-14,19H,3-6,10-11H2/t14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against serotonin transporter protein (SERT) expressed in HEK293 cells


Bioorg Med Chem Lett 15: 1619-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.059
BindingDB Entry DOI: 10.7270/Q25140FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against serotonin transporter protein (SERT) expressed in HEK293 cells


Bioorg Med Chem Lett 15: 1619-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.059
BindingDB Entry DOI: 10.7270/Q25140FV
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(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
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))
BDBM50320237
PNG
(1-(1-cyclopropylpropyl)-5-(2,6-dichloro-4-(difluor...)
Show SMILES CCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O
Show InChI InChI=1S/C17H18Cl2F2N4O2/c1-3-13(9-4-5-9)25-16(26)15(22-8(2)24-25)23-14-11(18)6-10(7-12(14)19)27-17(20)21/h6-7,9,13,17H,3-5H2,1-2H3,(H,22,23,24)
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n/an/a 2.10n/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
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