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Compile Data Set for Download or QSAR

Found 68 hits from Bristol-Myers Squibb Pharmaceuticals Research Institute   
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))
BDBM50087713
PNG
((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50087713
PNG
((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86190
PNG
(CAS_0 | NSC_0 | hrCRF)
Show InChI InChI=1S/C208H343N59O64S2/c1-30-105(19)160(262-196(321)145(95-270)259-200(325)161(106(20)31-2)263-197(322)146-50-42-76-266(146)204(329)147-51-43-77-267(147)203(328)132(60-69-157(286)287)246-179(304)126(56-65-153(278)279)235-169(294)117(210)93-268)199(324)257-143(90-158(288)289)193(318)252-138(85-103(15)16)194(319)265-164(113(27)271)202(327)256-139(86-114-44-35-34-36-45-114)189(314)253-141(88-116-92-222-97-227-116)190(315)251-136(83-101(11)12)188(313)250-135(82-100(9)10)185(310)237-121(49-41-75-225-208(219)220)174(299)241-128(58-67-155(282)283)182(307)260-159(104(17)18)198(323)255-137(84-102(13)14)187(312)243-127(57-66-154(280)281)178(303)244-130(70-78-332-28)172(297)230-109(23)165(290)232-119(47-39-73-223-206(215)216)170(295)228-110(24)166(291)234-125(55-64-152(276)277)177(302)240-124(54-63-150(213)274)180(305)248-133(80-98(5)6)184(309)231-111(25)167(292)233-123(53-62-149(212)273)176(301)239-122(52-61-148(211)272)171(296)229-112(26)168(293)247-140(87-115-91-221-96-226-115)191(316)258-144(94-269)195(320)254-142(89-151(214)275)192(317)238-120(48-40-74-224-207(217)218)173(298)236-118(46-37-38-72-209)175(300)249-134(81-99(7)8)186(311)245-131(71-79-333-29)181(306)242-129(59-68-156(284)285)183(308)261-162(107(21)32-3)201(326)264-163(205(330)331)108(22)33-4/h34-36,44-45,91-92,96-113,117-147,159-164,268-271H,30-33,37-43,46-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,317)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,315)(H,252,318)(H,253,314)(H,254,320)(H,255,323)(H,256,327)(H,257,324)(H,258,316)(H,259,325)(H,260,307)(H,261,308)(H,262,321)(H,263,322)(H,264,326)(H,265,319)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t105?,106-,107-,108-,109-,110-,111-,112-,113+,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-,142-,143-,144-,145-,146-,147-,159-,160-,161-,162-,163-,164-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
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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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
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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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86189
PNG
(CAS_0 | NSC_0 | OCRF)
Show InChI InChI=1S/C205H339N59O63S/c1-30-103(20)158(197(321)225-106(23)163(214)287)258-192(316)141(87-156(285)286)251-184(308)132(78-99(12)13)246-182(306)130(76-97(8)9)244-172(296)117(47-37-39-68-207)231-170(294)118(48-40-69-221-204(215)216)233-188(312)138(84-150(213)274)250-193(317)142(91-266)255-187(311)136(82-113-88-219-93-223-113)241-165(289)108(25)227-169(293)120(52-59-146(209)270)234-173(297)121(53-60-147(210)271)229-164(288)107(24)228-179(303)128(74-95(4)5)243-176(300)123(55-62-149(212)273)236-189(313)139(85-154(281)282)242-166(290)109(26)226-168(292)116(46-36-38-67-206)239-200(324)161(110(27)268)261-178(302)126(66-73-328-29)238-174(298)124(56-63-151(275)276)237-181(305)133(79-100(14)15)252-196(320)157(102(18)19)257-177(301)125(57-64-152(277)278)235-171(295)119(49-41-70-222-205(217)218)232-180(304)129(75-96(6)7)245-183(307)131(77-98(10)11)247-186(310)137(83-114-89-220-94-224-114)249-185(309)135(81-112-44-34-33-35-45-112)253-201(325)162(111(28)269)262-191(315)134(80-101(16)17)248-190(314)140(86-155(283)284)254-198(322)159(104(21)31-2)259-194(318)143(92-267)256-199(323)160(105(22)32-3)260-195(319)144-50-42-71-263(144)203(327)145-51-43-72-264(145)202(326)127(58-65-153(279)280)240-175(299)122(54-61-148(211)272)230-167(291)115(208)90-265/h33-35,44-45,88-89,93-111,115-145,157-162,265-269H,30-32,36-43,46-87,90-92,206-208H2,1-29H3,(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,287)(H,219,223)(H,220,224)(H,225,321)(H,226,292)(H,227,293)(H,228,303)(H,229,288)(H,230,291)(H,231,294)(H,232,304)(H,233,312)(H,234,297)(H,235,295)(H,236,313)(H,237,305)(H,238,298)(H,239,324)(H,240,299)(H,241,289)(H,242,290)(H,243,300)(H,244,296)(H,245,307)(H,246,306)(H,247,310)(H,248,314)(H,249,309)(H,250,317)(H,251,308)(H,252,320)(H,253,325)(H,254,322)(H,255,311)(H,256,323)(H,257,301)(H,258,316)(H,259,318)(H,260,319)(H,261,302)(H,262,315)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H4,215,216,221)(H4,217,218,222)/t103-,104?,105-,106-,107-,108-,109-,110?,111+,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-,142-,143-,144-,145-,157-,158-,159-,160-,161-,162-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86192
PNG
(CAS_197801-88-0 | CHEMBL2165203 | SN003)
Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
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4.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86192
PNG
(CAS_197801-88-0 | CHEMBL2165203 | SN003)
Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
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6.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86190
PNG
(CAS_0 | NSC_0 | hrCRF)
Show InChI InChI=1S/C208H343N59O64S2/c1-30-105(19)160(262-196(321)145(95-270)259-200(325)161(106(20)31-2)263-197(322)146-50-42-76-266(146)204(329)147-51-43-77-267(147)203(328)132(60-69-157(286)287)246-179(304)126(56-65-153(278)279)235-169(294)117(210)93-268)199(324)257-143(90-158(288)289)193(318)252-138(85-103(15)16)194(319)265-164(113(27)271)202(327)256-139(86-114-44-35-34-36-45-114)189(314)253-141(88-116-92-222-97-227-116)190(315)251-136(83-101(11)12)188(313)250-135(82-100(9)10)185(310)237-121(49-41-75-225-208(219)220)174(299)241-128(58-67-155(282)283)182(307)260-159(104(17)18)198(323)255-137(84-102(13)14)187(312)243-127(57-66-154(280)281)178(303)244-130(70-78-332-28)172(297)230-109(23)165(290)232-119(47-39-73-223-206(215)216)170(295)228-110(24)166(291)234-125(55-64-152(276)277)177(302)240-124(54-63-150(213)274)180(305)248-133(80-98(5)6)184(309)231-111(25)167(292)233-123(53-62-149(212)273)176(301)239-122(52-61-148(211)272)171(296)229-112(26)168(293)247-140(87-115-91-221-96-226-115)191(316)258-144(94-269)195(320)254-142(89-151(214)275)192(317)238-120(48-40-74-224-207(217)218)173(298)236-118(46-37-38-72-209)175(300)249-134(81-99(7)8)186(311)245-131(71-79-333-29)181(306)242-129(59-68-156(284)285)183(308)261-162(107(21)32-3)201(326)264-163(205(330)331)108(22)33-4/h34-36,44-45,91-92,96-113,117-147,159-164,268-271H,30-33,37-43,46-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,317)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,315)(H,252,318)(H,253,314)(H,254,320)(H,255,323)(H,256,327)(H,257,324)(H,258,316)(H,259,325)(H,260,307)(H,261,308)(H,262,321)(H,263,322)(H,264,326)(H,265,319)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t105?,106-,107-,108-,109-,110-,111-,112-,113+,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-,142-,143-,144-,145-,146-,147-,159-,160-,161-,162-,163-,164-/m0/s1
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14.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86191
PNG
(CAS_0 | D-PheCRF | NSC_0)
Show InChI InChI=1S/C159H266N48O44/c1-24-28-40-94(186-139(234)104(50-57-120(215)216)194-145(240)110(67-81(11)12)201-152(247)123(83(15)16)204-141(236)105(51-58-121(217)218)192-135(230)97(45-37-63-176-158(170)171)187-144(239)108(65-79(7)8)198-146(241)109(66-80(9)10)199-147(242)112(70-92-74-173-77-178-92)196-130(225)93(161)68-90-38-31-30-32-39-90)131(226)179-86(19)126(221)183-95(43-35-61-174-156(166)167)132(227)180-87(20)127(222)185-103(49-56-119(213)214)138(233)191-102(48-55-117(164)211)140(235)197-107(64-78(5)6)143(238)182-88(21)128(223)184-101(47-54-116(163)210)137(232)190-100(46-53-115(162)209)133(228)181-89(22)129(224)195-111(69-91-73-172-76-177-91)148(243)202-114(75-208)150(245)200-113(71-118(165)212)149(244)188-96(44-36-62-175-157(168)169)134(229)189-99(42-33-34-60-160)151(246)207-159(23,72-82(13)14)155(251)203-98(41-29-25-2)136(231)193-106(52-59-122(219)220)142(237)205-124(84(17)26-3)153(248)206-125(154(249)250)85(18)27-4/h30-32,38-39,73-74,76-89,93-114,123-125,208H,24-29,33-37,40-72,75,160-161H2,1-23H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,212)(H,172,177)(H,173,178)(H,179,226)(H,180,227)(H,181,228)(H,182,238)(H,183,221)(H,184,223)(H,185,222)(H,186,234)(H,187,239)(H,188,244)(H,189,229)(H,190,232)(H,191,233)(H,192,230)(H,193,231)(H,194,240)(H,195,224)(H,196,225)(H,197,235)(H,198,241)(H,199,242)(H,200,245)(H,201,247)(H,202,243)(H,203,251)(H,204,236)(H,205,237)(H,206,248)(H,207,246)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,249,250)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)/t84-,85-,86-,87-,88-,89-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,159-/m0/s1
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22.4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86189
PNG
(CAS_0 | NSC_0 | OCRF)
Show InChI InChI=1S/C205H339N59O63S/c1-30-103(20)158(197(321)225-106(23)163(214)287)258-192(316)141(87-156(285)286)251-184(308)132(78-99(12)13)246-182(306)130(76-97(8)9)244-172(296)117(47-37-39-68-207)231-170(294)118(48-40-69-221-204(215)216)233-188(312)138(84-150(213)274)250-193(317)142(91-266)255-187(311)136(82-113-88-219-93-223-113)241-165(289)108(25)227-169(293)120(52-59-146(209)270)234-173(297)121(53-60-147(210)271)229-164(288)107(24)228-179(303)128(74-95(4)5)243-176(300)123(55-62-149(212)273)236-189(313)139(85-154(281)282)242-166(290)109(26)226-168(292)116(46-36-38-67-206)239-200(324)161(110(27)268)261-178(302)126(66-73-328-29)238-174(298)124(56-63-151(275)276)237-181(305)133(79-100(14)15)252-196(320)157(102(18)19)257-177(301)125(57-64-152(277)278)235-171(295)119(49-41-70-222-205(217)218)232-180(304)129(75-96(6)7)245-183(307)131(77-98(10)11)247-186(310)137(83-114-89-220-94-224-114)249-185(309)135(81-112-44-34-33-35-45-112)253-201(325)162(111(28)269)262-191(315)134(80-101(16)17)248-190(314)140(86-155(283)284)254-198(322)159(104(21)31-2)259-194(318)143(92-267)256-199(323)160(105(22)32-3)260-195(319)144-50-42-71-263(144)203(327)145-51-43-72-264(145)202(326)127(58-65-153(279)280)240-175(299)122(54-61-148(211)272)230-167(291)115(208)90-265/h33-35,44-45,88-89,93-111,115-145,157-162,265-269H,30-32,36-43,46-87,90-92,206-208H2,1-29H3,(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,287)(H,219,223)(H,220,224)(H,225,321)(H,226,292)(H,227,293)(H,228,303)(H,229,288)(H,230,291)(H,231,294)(H,232,304)(H,233,312)(H,234,297)(H,235,295)(H,236,313)(H,237,305)(H,238,298)(H,239,324)(H,240,299)(H,241,289)(H,242,290)(H,243,300)(H,244,296)(H,245,307)(H,246,306)(H,247,310)(H,248,314)(H,249,309)(H,250,317)(H,251,308)(H,252,320)(H,253,325)(H,254,322)(H,255,311)(H,256,323)(H,257,301)(H,258,316)(H,259,318)(H,260,319)(H,261,302)(H,262,315)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H4,215,216,221)(H4,217,218,222)/t103-,104?,105-,106-,107-,108-,109-,110?,111+,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-,142-,143-,144-,145-,157-,158-,159-,160-,161-,162-/m0/s1
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23.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86193
PNG
(Alpha-Helical CRF | CAS_0 | NSC_0)
Show InChI InChI=1S/C170H283N51O50S2/c1-26-87(17)132(165(268)220-133(167(270)271)88(18)27-2)219-152(255)108(48-55-129(234)235)203-150(253)110(57-63-273-25)206-155(258)112(65-81(5)6)210-145(248)98(38-31-32-58-171)197-143(246)100(40-34-60-186-169(179)180)199-161(264)120(74-125(176)227)214-163(266)121(77-222)217-160(263)118(71-95-75-183-78-188-95)207-138(241)92(22)191-141(244)102(42-49-122(173)224)200-146(249)103(43-50-123(174)225)195-137(240)91(21)193-153(256)111(64-80(3)4)209-149(252)104(44-51-124(175)226)201-147(250)105(45-52-126(228)229)196-136(239)90(20)190-140(243)99(39-33-59-185-168(177)178)194-135(238)89(19)192-142(245)109(56-62-272-24)205-148(251)106(46-53-127(230)231)204-156(259)115(68-84(11)12)215-164(267)131(86(15)16)218-151(254)107(47-54-128(232)233)202-144(247)101(41-35-61-187-170(181)182)198-154(257)113(66-82(7)8)211-157(260)114(67-83(9)10)212-159(262)119(72-96-76-184-79-189-96)213-158(261)117(70-94-36-29-28-30-37-94)216-166(269)134(93(23)223)221-162(265)116(69-85(13)14)208-139(242)97(172)73-130(236)237/h28-30,36-37,75-76,78-93,97-121,131-134,222-223H,26-27,31-35,38-74,77,171-172H2,1-25H3,(H2,173,224)(H2,174,225)(H2,175,226)(H2,176,227)(H,183,188)(H,184,189)(H,190,243)(H,191,244)(H,192,245)(H,193,256)(H,194,238)(H,195,240)(H,196,239)(H,197,246)(H,198,257)(H,199,264)(H,200,249)(H,201,250)(H,202,247)(H,203,253)(H,204,259)(H,205,251)(H,206,258)(H,207,241)(H,208,242)(H,209,252)(H,210,248)(H,211,260)(H,212,262)(H,213,261)(H,214,266)(H,215,267)(H,216,269)(H,217,263)(H,218,254)(H,219,255)(H,220,268)(H,221,265)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,270,271)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t87-,88-,89-,90-,91-,92-,93+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,131-,132-,133-,134-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM86191
PNG
(CAS_0 | D-PheCRF | NSC_0)
Show InChI InChI=1S/C159H266N48O44/c1-24-28-40-94(186-139(234)104(50-57-120(215)216)194-145(240)110(67-81(11)12)201-152(247)123(83(15)16)204-141(236)105(51-58-121(217)218)192-135(230)97(45-37-63-176-158(170)171)187-144(239)108(65-79(7)8)198-146(241)109(66-80(9)10)199-147(242)112(70-92-74-173-77-178-92)196-130(225)93(161)68-90-38-31-30-32-39-90)131(226)179-86(19)126(221)183-95(43-35-61-174-156(166)167)132(227)180-87(20)127(222)185-103(49-56-119(213)214)138(233)191-102(48-55-117(164)211)140(235)197-107(64-78(5)6)143(238)182-88(21)128(223)184-101(47-54-116(163)210)137(232)190-100(46-53-115(162)209)133(228)181-89(22)129(224)195-111(69-91-73-172-76-177-91)148(243)202-114(75-208)150(245)200-113(71-118(165)212)149(244)188-96(44-36-62-175-157(168)169)134(229)189-99(42-33-34-60-160)151(246)207-159(23,72-82(13)14)155(251)203-98(41-29-25-2)136(231)193-106(52-59-122(219)220)142(237)205-124(84(17)26-3)153(248)206-125(154(249)250)85(18)27-4/h30-32,38-39,73-74,76-89,93-114,123-125,208H,24-29,33-37,40-72,75,160-161H2,1-23H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,212)(H,172,177)(H,173,178)(H,179,226)(H,180,227)(H,181,228)(H,182,238)(H,183,221)(H,184,223)(H,185,222)(H,186,234)(H,187,239)(H,188,244)(H,189,229)(H,190,232)(H,191,233)(H,192,230)(H,193,231)(H,194,240)(H,195,224)(H,196,225)(H,197,235)(H,198,241)(H,199,242)(H,200,245)(H,201,247)(H,202,243)(H,203,251)(H,204,236)(H,205,237)(H,206,248)(H,207,246)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,249,250)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)/t84-,85-,86-,87-,88-,89-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,159-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141397
PNG
(4-({3-[(Z)-2-Amino-2-(2-amino-phenylsulfanyl)-1-cy...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18N4OS/c24-13-15-8-10-16(11-9-15)22(28)18-5-3-4-17(12-18)19(14-25)23(27)29-21-7-2-1-6-20(21)26/h1-12,19,22,27-28H,26H2
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141406
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[(2,4-...)
Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C22H16N5O5S/c23-12-17(22(25)33-20-7-2-1-6-18(20)24)13-4-3-5-14(10-13)21(28)16-9-8-15(26(29)30)11-19(16)27(31)32/h1-11,21,25,28H,24H2/q-1/p+1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141412
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...)
Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N4O3S/c23-13-18(22(25)30-20-7-2-1-6-19(20)24)15-4-3-5-16(12-15)21(27)14-8-10-17(11-9-14)26(28)29/h1-12,21,25,27H,24H2/q-1/p+1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141438
PNG
(4-({3-[(Z)-2-Amino-1-cyano-2-(2-hydroxy-phenylsulf...)
Show SMILES OC(c1ccc(cc1)C#N)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1O
Show InChI InChI=1S/C23H17N3O2S/c24-13-15-8-10-16(11-9-15)22(28)18-5-3-4-17(12-18)19(14-25)23(26)29-21-7-2-1-6-20(21)27/h1-12,19,22,26-28H
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141410
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccncc1
Show InChI InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,17,20,24,26H,23H2
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141441
PNG
(3-({3-[(Z)-2-Amino-2-(2-amino-phenylsulfanyl)-1-cy...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc(c1)C#N
Show InChI InChI=1S/C23H18N4OS/c24-13-15-5-3-7-17(11-15)22(28)18-8-4-6-16(12-18)19(14-25)23(27)29-21-10-2-1-9-20(21)26/h1-12,19,22,27-28H,26H2
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141404
PNG
(4-({3-[(Z)-2-Amino-2-(2-amino-phenylsulfanyl)-1-cy...)
Show SMILES COC(=O)c1ccc(cc1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C24H21N3O3S/c1-30-24(29)16-11-9-15(10-12-16)22(28)18-6-4-5-17(13-18)19(14-25)23(27)31-21-8-3-2-7-20(21)26/h2-13,19,22,27-28H,26H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141417
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccsc1
Show InChI InChI=1S/C20H17N3OS2/c21-11-16(20(23)26-18-7-2-1-6-17(18)22)13-4-3-5-14(10-13)19(24)15-8-9-25-12-15/h1-10,12,16,19,23-24H,22H2
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141426
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccs1
Show InChI InChI=1S/C20H17N3OS2/c21-12-15(20(23)26-17-8-2-1-7-16(17)22)13-5-3-6-14(11-13)19(24)18-9-4-10-25-18/h1-11,15,19,23-24H,22H2
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141400
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...)
Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N4O3S/c23-13-18(22(25)30-20-10-2-1-9-19(20)24)14-5-3-6-15(11-14)21(27)16-7-4-8-17(12-16)26(28)29/h1-12,21,25,27H,24H2/q-1/p+1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141440
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Cc1ccccc1C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C23H21N3OS/c1-15-7-2-3-10-18(15)22(27)17-9-6-8-16(13-17)19(14-24)23(26)28-21-12-5-4-11-20(21)25/h2-13,19,22,26-27H,25H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141401
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccnc1
Show InChI InChI=1S/C21H18N4OS/c22-12-17(21(24)27-19-9-2-1-8-18(19)23)14-5-3-6-15(11-14)20(26)16-7-4-10-25-13-16/h1-11,13,17,20,24,26H,23H2
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141427
PNG
((Z)-3-Amino-2-{3-[hydroxy-(3-nitro-phenyl)-methyl]...)
Show SMILES OC(c1cccc(c1)C(=C=[N-])C(=[NH2+])Sc1ccccc1O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H16N3O4S/c23-13-18(22(24)30-20-10-2-1-9-19(20)26)14-5-3-6-15(11-14)21(27)16-7-4-8-17(12-16)25(28)29/h1-12,21,24,26-27H/q-1/p+1
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141399
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[(2,3-...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H21N3O3S/c25-14-18(24(27)31-22-7-2-1-6-19(22)26)15-4-3-5-16(12-15)23(28)17-8-9-20-21(13-17)30-11-10-29-20/h1-9,12-13,18,23,27-28H,10-11,26H2
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141418
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c23-14-18(22(25)27-20-12-5-4-11-19(20)24)16-9-6-10-17(13-16)21(26)15-7-2-1-3-8-15/h1-13,18,21,25-26H,24H2
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141431
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-{hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C23H19N7OS/c24-13-18(22(26)32-20-7-2-1-6-19(20)25)16-4-3-5-17(12-16)21(31)14-8-10-15(11-9-14)23-27-29-30-28-23/h1-12,18,21,26,31H,25H2,(H,27,28,29,30)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141419
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-phenox...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C21H17N3OS/c22-14-18(21(24)26-20-12-5-4-11-19(20)23)15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-13,18,24H,23H2
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141437
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-benzyl...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C22H19N3S/c23-15-19(22(25)26-21-12-5-4-11-20(21)24)18-10-6-9-17(14-18)13-16-7-2-1-3-8-16/h1-12,14,19,25H,13,24H2
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141416
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[(3-fl...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc(F)c1
Show InChI InChI=1S/C22H18FN3OS/c23-17-8-4-7-16(12-17)21(27)15-6-3-5-14(11-15)18(13-24)22(26)28-20-10-2-1-9-19(20)25/h1-12,18,21,26-27H,25H2
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141425
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc2ccccc12
Show InChI InChI=1S/C26H21N3OS/c27-16-22(26(29)31-24-14-4-3-13-23(24)28)18-9-5-10-19(15-18)25(30)21-12-6-8-17-7-1-2-11-20(17)21/h1-15,22,25,29-30H,28H2
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141415
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Cc1ccc(cc1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C23H21N3OS/c1-15-9-11-16(12-10-15)22(27)18-6-4-5-17(13-18)19(14-24)23(26)28-21-8-3-2-7-20(21)25/h2-13,19,22,26-27H,25H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141402
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3OS/c24-23(25,26)17-8-4-7-16(12-17)21(30)15-6-3-5-14(11-15)18(13-27)22(29)31-20-10-2-1-9-19(20)28/h1-12,18,21,29-30H,28H2
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141428
PNG
(4-({3-[(Z)-2-Amino-1-cyano-2-(2,4-diamino-phenylsu...)
Show SMILES Nc1ccc(SC(=N)C(C#N)c2cccc(c2)C(O)c2ccc(cc2)C#N)c(N)c1
Show InChI InChI=1S/C23H19N5OS/c24-12-14-4-6-15(7-5-14)22(29)17-3-1-2-16(10-17)19(13-25)23(28)30-21-9-8-18(26)11-20(21)27/h1-11,19,22,28-29H,26-27H2
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141432
PNG
(4-{[3-((Z)-2-Amino-1-cyano-2-phenylsulfanyl-vinyl)...)
Show SMILES OC(c1ccc(cc1)C#N)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1
Show InChI InChI=1S/C23H17N3OS/c24-14-16-9-11-17(12-10-16)22(27)19-6-4-5-18(13-19)21(15-25)23(26)28-20-7-2-1-3-8-20/h1-13,21-22,26-27H
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141409
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(furan...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccoc1
Show InChI InChI=1S/C20H17N3O2S/c21-11-16(20(23)26-18-7-2-1-6-17(18)22)13-4-3-5-14(10-13)19(24)15-8-9-25-12-15/h1-10,12,16,19,23-24H,22H2
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141434
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(cyclo...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)C1CCCCC1
Show InChI InChI=1S/C22H25N3OS/c23-14-18(22(25)27-20-12-5-4-11-19(20)24)16-9-6-10-17(13-16)21(26)15-7-2-1-3-8-15/h4-6,9-13,15,18,21,25-26H,1-3,7-8,24H2
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n/an/a 56n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141424
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Cc1cccc(c1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C23H21N3OS/c1-15-6-4-8-17(12-15)22(27)18-9-5-7-16(13-18)19(14-24)23(26)28-21-11-3-2-10-20(21)25/h2-13,19,22,26-27H,25H2,1H3
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141423
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3OS/c24-23(25,26)17-10-8-14(9-11-17)21(30)16-5-3-4-15(12-16)18(13-27)22(29)31-20-7-2-1-6-19(20)28/h1-12,18,21,29-30H,28H2
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141439
PNG
((Z)-3-Amino-3-(4-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccc(SC(=N)C(C#N)c2cccc(c2)C(O)c2ccccc2)cc1
Show InChI InChI=1S/C22H19N3OS/c23-14-20(22(25)27-19-11-9-18(24)10-12-19)16-7-4-8-17(13-16)21(26)15-5-2-1-3-6-15/h1-13,20-21,25-26H,24H2
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141405
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H21N3OS/c27-16-22(26(29)31-24-11-4-3-10-23(24)28)19-8-5-9-20(15-19)25(30)21-13-12-17-6-1-2-7-18(17)14-21/h1-15,22,25,29-30H,28H2
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141407
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccccn1
Show InChI InChI=1S/C21H18N4OS/c22-13-16(21(24)27-19-10-2-1-8-17(19)23)14-6-5-7-15(12-14)20(26)18-9-3-4-11-25-18/h1-12,16,20,24,26H,23H2
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n/an/a 99n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141403
PNG
(3-Amino-3-(2-amino-phenylsulfanyl)-2-phenyl-propio...)
Show SMILES NC(Sc1ccccc1N)C(C#N)c1ccccc1
Show InChI InChI=1S/C15H15N3S/c16-10-12(11-6-2-1-3-7-11)15(18)19-14-9-5-4-8-13(14)17/h1-9,12,15H,17-18H2
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141396
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(1-hyd...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)Cc1ccccc1
Show InChI InChI=1S/C23H21N3OS/c24-15-19(23(26)28-22-12-5-4-11-20(22)25)17-9-6-10-18(14-17)21(27)13-16-7-2-1-3-8-16/h1-12,14,19,21,26-27H,13,25H2
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50141411
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(1-hyd...)
Show SMILES CC(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C17H17N3OS/c1-11(21)12-5-4-6-13(9-12)14(10-18)17(20)22-16-8-3-2-7-15(16)19/h2-9,11,14,20-21H,19H2,1H3
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n/an/a 183n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1


Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair
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