Compile Data Set for Download or QSAR
Found 35 Enz. Inhib. hit(s) with all data for entry = 50008722
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521644(CHEMBL4592246)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C97H159N29O25S/c1-15-52(10)76(93(148)110-53(11)79(134)116-64(37-48(2)3)85(140)117-67(39-56-23-17-16-18-24-56)87(142)114-63(32-36-152-14)80(135)108-45-73(133)111-66(40-57-28-30-59(130)31-29-57)86(141)121-70(46-127)90(145)126-78(55(13)129)95(150)151)124-89(144)69(42-71(100)131)120-92(147)75(51(8)9)123-88(143)68(41-58-44-105-47-109-58)118-82(137)62(27-22-35-107-97(103)104)115-94(149)77(54(12)128)125-83(138)60(25-19-20-33-98)112-81(136)61(26-21-34-106-96(101)102)113-84(139)65(38-49(4)5)119-91(146)74(50(6)7)122-72(132)43-99/h16-18,23-24,28-31,44,47-55,60-70,74-78,127-130H,15,19-22,25-27,32-43,45-46,98-99H2,1-14H3,(H2,100,131)(H,105,109)(H,108,135)(H,110,148)(H,111,133)(H,112,136)(H,113,139)(H,114,142)(H,115,149)(H,116,134)(H,117,140)(H,118,137)(H,119,146)(H,120,147)(H,121,141)(H,122,132)(H,123,143)(H,124,144)(H,125,138)(H,126,145)(H,150,151)(H4,101,102,106)(H4,103,104,107)/t52-,53-,54+,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-,78-/m0/s1
Affinity DataKd:  9.80E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521675(CHEMBL4547059)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H134N22O18S/c1-16-45(12)63(77(118)97-55(33-42(6)7)71(112)94-53(31-40(2)3)70(111)95-56(34-48-23-18-17-19-24-48)72(113)92-52(27-30-120-15)66(107)87-38-60(104)105)100-74(115)58(36-59(81)103)98-76(117)62(44(10)11)99-73(114)57(35-49-37-85-39-88-49)93-65(106)46(13)89-78(119)64(47(14)102)101-68(109)50(25-20-21-28-80)90-67(108)51(26-22-29-86-79(83)84)91-69(110)54(32-41(4)5)96-75(116)61(82)43(8)9/h17-19,23-24,37,39-47,50-58,61-64,102H,16,20-22,25-36,38,80,82H2,1-15H3,(H2,81,103)(H,85,88)(H,87,107)(H,89,119)(H,90,108)(H,91,110)(H,92,113)(H,93,106)(H,94,112)(H,95,111)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,100,115)(H,101,109)(H,104,105)(H4,83,84,86)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
Affinity DataKd:  2.40E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521646(CHEMBL4520983)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C76H137N25O18S/c1-16-42(12)59(73(118)97-52(31-39(6)7)68(113)94-50(29-37(2)3)66(111)89-43(13)61(106)90-49(24-28-120-15)62(107)87-35-56(104)105)100-70(115)54(33-55(78)103)98-72(117)58(41(10)11)99-69(114)53(32-45-34-84-36-88-45)95-64(109)48(23-20-27-86-76(82)83)93-74(119)60(44(14)102)101-65(110)46(21-17-18-25-77)91-63(108)47(22-19-26-85-75(80)81)92-67(112)51(30-38(4)5)96-71(116)57(79)40(8)9/h34,36-44,46-54,57-60,102H,16-33,35,77,79H2,1-15H3,(H2,78,103)(H,84,88)(H,87,107)(H,89,111)(H,90,106)(H,91,108)(H,92,112)(H,93,119)(H,94,113)(H,95,109)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,100,115)(H,101,110)(H,104,105)(H4,80,81,85)(H4,82,83,86)/t42-,43-,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1
Affinity DataKd:  570nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521647(CHEMBL4447862)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C99H163N29O24S/c1-16-55(12)79(96(150)122-68(40-52(6)7)88(142)118-66(38-50(2)3)87(141)119-70(41-58-24-18-17-19-25-58)90(144)117-65(33-37-153-15)82(136)110-47-76(134)113-69(42-59-29-31-61(131)32-30-59)89(143)124-73(48-129)93(147)128-80(57(14)130)97(151)152)127-92(146)72(44-74(102)132)123-95(149)78(54(10)11)126-91(145)71(43-60-46-107-49-111-60)120-85(139)63(27-22-35-108-98(103)104)114-81(135)56(13)112-83(137)62(26-20-21-34-100)115-84(138)64(28-23-36-109-99(105)106)116-86(140)67(39-51(4)5)121-94(148)77(53(8)9)125-75(133)45-101/h17-19,24-25,29-32,46,49-57,62-73,77-80,129-131H,16,20-23,26-28,33-45,47-48,100-101H2,1-15H3,(H2,102,132)(H,107,111)(H,110,136)(H,112,137)(H,113,134)(H,114,135)(H,115,138)(H,116,140)(H,117,144)(H,118,142)(H,119,141)(H,120,139)(H,121,148)(H,122,150)(H,123,149)(H,124,143)(H,125,133)(H,126,145)(H,127,146)(H,128,147)(H,151,152)(H4,103,104,108)(H4,105,106,109)/t55-,56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-,80-/m0/s1
Affinity DataKd:  1.49E+4nMAssay Description:Binding affinity to BRAF (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521648(CHEMBL4579756)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C100H165N29O25S/c1-16-55(12)79(127-84(139)64(113-75(135)45-102)28-23-36-110-100(106)107)95(150)122-71(44-74(103)134)89(144)115-62(26-20-21-34-101)82(137)111-47-76(136)114-63(27-22-35-109-99(104)105)83(138)119-70(43-60-46-108-49-112-60)91(146)129-81(57(14)132)97(152)120-68(41-58-24-18-17-19-25-58)87(142)117-66(38-50(2)3)86(141)118-67(39-51(4)5)90(145)125-78(54(10)11)94(149)126-77(53(8)9)93(148)116-65(33-37-155-15)85(140)128-80(56(13)131)96(151)121-69(42-59-29-31-61(133)32-30-59)88(143)124-73(48-130)92(147)123-72(98(153)154)40-52(6)7/h17-19,24-25,29-32,46,49-57,62-73,77-81,130-133H,16,20-23,26-28,33-45,47-48,101-102H2,1-15H3,(H2,103,134)(H,108,112)(H,111,137)(H,113,135)(H,114,136)(H,115,144)(H,116,148)(H,117,142)(H,118,141)(H,119,138)(H,120,152)(H,121,151)(H,122,150)(H,123,147)(H,124,143)(H,125,145)(H,126,149)(H,127,139)(H,128,140)(H,129,146)(H,153,154)(H4,104,105,109)(H4,106,107,110)/t55-,56+,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-,80-,81-/m0/s1
Affinity DataKd:  2.96E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521649(CHEMBL4531640)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C97H159N29O25S/c1-15-52(10)76(93(148)119-65(38-49(4)5)85(140)116-64(37-48(2)3)84(139)117-67(39-56-23-17-16-18-24-56)87(142)114-63(32-36-152-14)80(135)108-45-73(133)111-66(40-57-28-30-59(130)31-29-57)86(141)121-70(46-127)90(145)126-78(55(13)129)95(150)151)124-89(144)69(42-71(100)131)120-92(147)75(51(8)9)123-88(143)68(41-58-44-105-47-109-58)118-82(137)62(27-22-35-107-97(103)104)115-94(149)77(54(12)128)125-83(138)60(25-19-20-33-98)113-81(136)61(26-21-34-106-96(101)102)112-79(134)53(11)110-91(146)74(50(6)7)122-72(132)43-99/h16-18,23-24,28-31,44,47-55,60-70,74-78,127-130H,15,19-22,25-27,32-43,45-46,98-99H2,1-14H3,(H2,100,131)(H,105,109)(H,108,135)(H,110,146)(H,111,133)(H,112,134)(H,113,136)(H,114,142)(H,115,149)(H,116,140)(H,117,139)(H,118,137)(H,119,148)(H,120,147)(H,121,141)(H,122,132)(H,123,143)(H,124,144)(H,125,138)(H,126,145)(H,150,151)(H4,101,102,106)(H4,103,104,107)/t52-,53-,54+,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-,78-/m0/s1
Affinity DataKd:  3.89E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521650(CHEMBL4441432)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C99H160N26O27S/c1-16-54(12)79(96(149)118-67(39-51(6)7)88(141)114-65(37-49(2)3)87(140)115-69(40-57-23-18-17-19-24-57)90(143)112-64(33-36-153-15)82(135)107-46-75(132)109-68(41-58-27-29-60(129)30-28-58)89(142)120-72(47-126)93(146)125-81(56(14)128)98(151)152)123-92(145)71(43-73(102)130)119-95(148)78(53(10)11)122-91(144)70(42-59-45-105-48-108-59)116-83(136)62(26-22-35-106-99(103)104)113-97(150)80(55(13)127)124-85(138)61(25-20-21-34-100)110-84(137)63(31-32-76(133)134)111-86(139)66(38-50(4)5)117-94(147)77(52(8)9)121-74(131)44-101/h17-19,23-24,27-30,45,48-56,61-72,77-81,126-129H,16,20-22,25-26,31-44,46-47,100-101H2,1-15H3,(H2,102,130)(H,105,108)(H,107,135)(H,109,132)(H,110,137)(H,111,139)(H,112,143)(H,113,150)(H,114,141)(H,115,140)(H,116,136)(H,117,147)(H,118,149)(H,119,148)(H,120,142)(H,121,131)(H,122,144)(H,123,145)(H,124,138)(H,125,146)(H,133,134)(H,151,152)(H4,103,104,106)/t54-,55+,56+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-/m0/s1
Affinity DataKd:  1.09E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521651(CHEMBL4440248)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C100H163N29O26S/c1-15-55(12)80(97(153)123-67(39-52(6)7)88(144)118-65(37-50(2)3)87(143)119-69(40-57-23-17-16-18-24-57)90(146)117-64(32-36-156-14)82(138)111-47-76(135)113-68(41-58-28-30-60(132)31-29-58)89(145)125-73(48-130)94(150)129-81(56(13)131)98(154)155)128-93(149)71(43-74(103)133)124-96(152)79(54(10)11)127-92(148)70(42-59-46-108-49-112-59)120-85(141)63(27-22-35-110-100(106)107)116-91(147)72(44-77(136)137)121-84(140)61(25-19-20-33-101)114-83(139)62(26-21-34-109-99(104)105)115-86(142)66(38-51(4)5)122-95(151)78(53(8)9)126-75(134)45-102/h16-18,23-24,28-31,46,49-56,61-73,78-81,130-132H,15,19-22,25-27,32-45,47-48,101-102H2,1-14H3,(H2,103,133)(H,108,112)(H,111,138)(H,113,135)(H,114,139)(H,115,142)(H,116,147)(H,117,146)(H,118,144)(H,119,143)(H,120,141)(H,121,140)(H,122,151)(H,123,153)(H,124,152)(H,125,145)(H,126,134)(H,127,148)(H,128,149)(H,129,150)(H,136,137)(H,154,155)(H4,104,105,109)(H4,106,107,110)/t55-,56+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-,79-,80-,81-/m0/s1
Affinity DataKd:  2.20E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521652(CHEMBL4459130)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[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](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C98H161N29O25S/c1-15-53(10)77(94(149)122-67(39-51(6)7)88(143)118-65(37-49(2)3)87(142)119-69(40-57-23-17-16-18-24-57)90(145)115-64(32-36-153-14)81(136)109-46-75(134)112-68(41-58-28-30-60(131)31-29-58)89(144)123-72(47-128)92(147)127-79(56(13)130)96(151)152)125-91(146)71(43-73(101)132)117-80(135)54(11)111-85(140)70(42-59-45-106-48-110-59)120-83(138)63(27-22-35-108-98(104)105)116-95(150)78(55(12)129)126-84(139)61(25-19-20-33-99)113-82(137)62(26-21-34-107-97(102)103)114-86(141)66(38-50(4)5)121-93(148)76(52(8)9)124-74(133)44-100/h16-18,23-24,28-31,45,48-56,61-72,76-79,128-131H,15,19-22,25-27,32-44,46-47,99-100H2,1-14H3,(H2,101,132)(H,106,110)(H,109,136)(H,111,140)(H,112,134)(H,113,137)(H,114,141)(H,115,145)(H,116,150)(H,117,135)(H,118,143)(H,119,142)(H,120,138)(H,121,148)(H,122,149)(H,123,144)(H,124,133)(H,125,146)(H,126,139)(H,127,147)(H,151,152)(H4,102,103,107)(H4,104,105,108)/t53-,54-,55+,56+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-,79-/m0/s1
Affinity DataKd:  4.75E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521653(CHEMBL4589790)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C84H144N26O19S/c1-15-48(12)67(81(128)105-58(35-45(6)7)75(122)101-56(33-43(2)3)74(121)102-59(36-50-23-17-16-18-24-50)76(123)99-55(28-32-130-14)69(116)95-41-64(114)115)109-78(125)61(38-62(87)112)106-80(127)66(47(10)11)108-77(124)60(37-51-40-92-42-96-51)103-71(118)54(27-22-31-94-84(90)91)100-82(129)68(49(13)111)110-72(119)52(25-19-20-29-85)97-70(117)53(26-21-30-93-83(88)89)98-73(120)57(34-44(4)5)104-79(126)65(46(8)9)107-63(113)39-86/h16-18,23-24,40,42-49,52-61,65-68,111H,15,19-22,25-39,41,85-86H2,1-14H3,(H2,87,112)(H,92,96)(H,95,116)(H,97,117)(H,98,120)(H,99,123)(H,100,129)(H,101,122)(H,102,121)(H,103,118)(H,104,126)(H,105,128)(H,106,127)(H,107,113)(H,108,124)(H,109,125)(H,110,119)(H,114,115)(H4,88,89,93)(H4,90,91,94)/t48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-/m0/s1
Affinity DataKd:  1.88E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521654(CHEMBL4541462)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C82H141N25O18S/c1-15-47(12)65(79(124)103-57(35-44(6)7)73(118)99-55(33-42(2)3)72(117)100-58(36-49-23-17-16-18-24-49)74(119)97-54(28-32-126-14)67(112)93-40-62(110)111)106-76(121)60(38-61(84)109)104-78(123)64(46(10)11)105-75(120)59(37-50-39-90-41-94-50)101-69(114)53(27-22-31-92-82(88)89)98-80(125)66(48(13)108)107-70(115)51(25-19-20-29-83)95-68(113)52(26-21-30-91-81(86)87)96-71(116)56(34-43(4)5)102-77(122)63(85)45(8)9/h16-18,23-24,39,41-48,51-60,63-66,108H,15,19-22,25-38,40,83,85H2,1-14H3,(H2,84,109)(H,90,94)(H,93,112)(H,95,113)(H,96,116)(H,97,119)(H,98,125)(H,99,118)(H,100,117)(H,101,114)(H,102,122)(H,103,124)(H,104,123)(H,105,120)(H,106,121)(H,107,115)(H,110,111)(H4,86,87,91)(H4,88,89,92)/t47-,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-,65-,66-/m0/s1
Affinity DataKd:  130nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521655(CHEMBL4520561)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(N)=O
Show InChI InChI=1S/C82H142N26O17S/c1-15-47(12)65(79(124)104-57(35-44(6)7)73(118)100-55(33-42(2)3)72(117)101-58(36-49-23-17-16-18-24-49)74(119)98-54(28-32-126-14)67(112)94-40-62(85)111)107-76(121)60(38-61(84)110)105-78(123)64(46(10)11)106-75(120)59(37-50-39-91-41-95-50)102-69(114)53(27-22-31-93-82(89)90)99-80(125)66(48(13)109)108-70(115)51(25-19-20-29-83)96-68(113)52(26-21-30-92-81(87)88)97-71(116)56(34-43(4)5)103-77(122)63(86)45(8)9/h16-18,23-24,39,41-48,51-60,63-66,109H,15,19-22,25-38,40,83,86H2,1-14H3,(H2,84,110)(H2,85,111)(H,91,95)(H,94,112)(H,96,113)(H,97,116)(H,98,119)(H,99,125)(H,100,118)(H,101,117)(H,102,114)(H,103,122)(H,104,124)(H,105,123)(H,106,120)(H,107,121)(H,108,115)(H4,87,88,92)(H4,89,90,93)/t47-,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-,65-,66-/m0/s1
Affinity DataKd:  480nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521656(CHEMBL4458911)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H135N25O18S/c1-14-44(10)62(76(121)100-54(33-41(4)5)70(115)97-53(32-40(2)3)69(114)98-55(34-47-22-16-15-17-23-47)71(116)95-52(27-31-123-13)65(110)90-38-59(107)108)103-73(118)57(36-58(81)106)101-75(120)61(43(8)9)102-72(117)56(35-48-37-87-39-91-48)99-67(112)51(26-21-30-89-79(85)86)96-77(122)63(46(12)105)104-68(113)49(24-18-19-28-80)94-66(111)50(25-20-29-88-78(83)84)93-64(109)45(11)92-74(119)60(82)42(6)7/h15-17,22-23,37,39-46,49-57,60-63,105H,14,18-21,24-36,38,80,82H2,1-13H3,(H2,81,106)(H,87,91)(H,90,110)(H,92,119)(H,93,109)(H,94,111)(H,95,116)(H,96,122)(H,97,115)(H,98,114)(H,99,112)(H,100,121)(H,101,120)(H,102,117)(H,103,118)(H,104,113)(H,107,108)(H4,83,84,88)(H4,85,86,89)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-,63-/m0/s1
Affinity DataKd:  450nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521657(CHEMBL4471635)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H134N22O18S/c1-16-45(12)63(77(118)97-55(33-42(6)7)71(112)93-54(32-41(4)5)70(111)94-56(34-48-23-18-17-19-24-48)72(113)91-52(27-30-120-15)66(107)87-38-60(104)105)100-74(115)58(36-59(81)103)98-76(117)62(44(10)11)99-73(114)57(35-49-37-85-39-88-49)95-67(108)51(26-22-29-86-79(83)84)92-78(119)64(47(14)102)101-68(109)50(25-20-21-28-80)90-65(106)46(13)89-69(110)53(31-40(2)3)96-75(116)61(82)43(8)9/h17-19,23-24,37,39-47,50-58,61-64,102H,16,20-22,25-36,38,80,82H2,1-15H3,(H2,81,103)(H,85,88)(H,87,107)(H,89,110)(H,90,106)(H,91,113)(H,92,119)(H,93,112)(H,94,111)(H,95,108)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,100,115)(H,101,109)(H,104,105)(H4,83,84,86)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
Affinity DataKd:  360nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521658(CHEMBL4542330)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H135N25O18S/c1-40(2)31-53(71(116)98-54(32-41(3)4)72(117)99-56(34-47-21-15-14-16-22-47)73(118)95-52(26-30-123-13)65(110)90-38-60(107)108)97-64(109)45(11)92-69(114)58(36-59(81)106)102-76(121)62(44(9)10)103-74(119)57(35-48-37-87-39-91-48)100-67(112)51(25-20-29-89-79(85)86)96-77(122)63(46(12)105)104-68(113)49(23-17-18-27-80)93-66(111)50(24-19-28-88-78(83)84)94-70(115)55(33-42(5)6)101-75(120)61(82)43(7)8/h14-16,21-22,37,39-46,49-58,61-63,105H,17-20,23-36,38,80,82H2,1-13H3,(H2,81,106)(H,87,91)(H,90,110)(H,92,114)(H,93,111)(H,94,115)(H,95,118)(H,96,122)(H,97,109)(H,98,116)(H,99,117)(H,100,112)(H,101,120)(H,102,121)(H,103,119)(H,104,113)(H,107,108)(H4,83,84,88)(H4,85,86,89)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1
Affinity DataKd:  2.69E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521659(CHEMBL4447430)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H137N25O18/c1-15-45(12)63(77(122)101-55(33-42(6)7)72(117)97-53(31-40(2)3)71(116)98-56(34-48-23-17-16-18-24-48)69(114)93-46(13)65(110)91-38-60(108)109)104-74(119)58(36-59(82)107)102-76(121)62(44(10)11)103-73(118)57(35-49-37-88-39-92-49)99-67(112)52(27-22-30-90-80(86)87)96-78(123)64(47(14)106)105-68(113)50(25-19-20-28-81)94-66(111)51(26-21-29-89-79(84)85)95-70(115)54(32-41(4)5)100-75(120)61(83)43(8)9/h16-18,23-24,37,39-47,50-58,61-64,106H,15,19-22,25-36,38,81,83H2,1-14H3,(H2,82,107)(H,88,92)(H,91,110)(H,93,114)(H,94,111)(H,95,115)(H,96,123)(H,97,117)(H,98,116)(H,99,112)(H,100,120)(H,101,122)(H,102,121)(H,103,118)(H,104,119)(H,105,113)(H,108,109)(H4,84,85,89)(H4,86,87,90)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
Affinity DataKd:  540nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521660(CHEMBL4446282)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C77H132N24O17S/c1-13-44(10)61(74(117)97-54(33-42(6)7)69(112)94-53(32-41(4)5)68(111)95-55(34-46-21-15-14-16-22-46)70(113)92-52(26-30-119-12)64(107)88-38-59(104)105)100-72(115)57(36-58(80)103)98-73(116)60(43(8)9)99-71(114)56(35-47-37-85-39-89-47)96-66(109)51(25-20-29-87-77(83)84)93-75(118)62(45(11)102)101-67(110)49(23-17-18-27-78)91-65(108)50(24-19-28-86-76(81)82)90-63(106)48(79)31-40(2)3/h14-16,21-22,37,39-45,48-57,60-62,102H,13,17-20,23-36,38,78-79H2,1-12H3,(H2,80,103)(H,85,89)(H,88,107)(H,90,106)(H,91,108)(H,92,113)(H,93,118)(H,94,112)(H,95,111)(H,96,109)(H,97,117)(H,98,116)(H,99,114)(H,100,115)(H,101,110)(H,104,105)(H4,81,82,86)(H4,83,84,87)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1
Affinity DataKd:  190nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521661(CHEMBL4457586)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)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(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(CCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(C)C
Show InChI InChI=1S/C77H129N25O17S/c1-41(2)32-53-69(113)94-49(22-16-29-86-76(81)82)66(110)91-47(20-13-14-27-78)64(108)92-48(21-15-28-79)65(109)93-50(23-17-30-87-77(83)84)67(111)100-57(36-46-38-85-40-89-46)74(118)102-62(44(7)8)75(119)101-58(37-59(80)103)73(117)95-51(24-25-61(105)106)68(112)97-54(33-42(3)4)70(114)98-55(34-43(5)6)71(115)99-56(35-45-18-11-10-12-19-45)72(116)96-52(26-31-120-9)63(107)88-39-60(104)90-53/h10-12,18-19,38,40-44,47-58,62H,13-17,20-37,39,78-79H2,1-9H3,(H2,80,103)(H,85,89)(H,88,107)(H,90,104)(H,91,110)(H,92,108)(H,93,109)(H,94,113)(H,95,117)(H,96,116)(H,97,112)(H,98,114)(H,99,115)(H,100,111)(H,101,119)(H,102,118)(H,105,106)(H4,81,82,86)(H4,83,84,87)/t47-,48?,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
Affinity DataKd:  780nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521662(CHEMBL4471788)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)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](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(CCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(C)C
Show InChI InChI=1S/C76H128N24O16S/c1-41(2)33-54-69(111)94-50(23-17-30-84-75(79)80)66(108)91-48(21-14-15-28-77)64(106)92-49(22-16-29-78)65(107)93-51(24-18-31-85-76(81)82)67(109)99-58(37-47-38-83-40-87-47)73(115)100-61(44(7)8)74(116)88-45(9)62(104)90-52(25-26-60(102)103)68(110)96-55(34-42(3)4)70(112)97-56(35-43(5)6)71(113)98-57(36-46-19-12-11-13-20-46)72(114)95-53(27-32-117-10)63(105)86-39-59(101)89-54/h11-13,19-20,38,40-45,48-58,61H,14-18,21-37,39,77-78H2,1-10H3,(H,83,87)(H,86,105)(H,88,116)(H,89,101)(H,90,104)(H,91,108)(H,92,106)(H,93,107)(H,94,111)(H,95,114)(H,96,110)(H,97,112)(H,98,113)(H,99,109)(H,100,115)(H,102,103)(H4,79,80,84)(H4,81,82,85)/t45-,48-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
Affinity DataKd:  460nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521663(CHEMBL4443180)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)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](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(C)C
Show InChI InChI=1S/C77H130N24O16S/c1-42(2)34-55-70(112)95-51(24-18-31-85-76(80)81)67(109)93-49(22-14-16-29-78)65(107)92-50(23-15-17-30-79)66(108)94-52(25-19-32-86-77(82)83)68(110)100-59(38-48-39-84-41-88-48)74(116)101-62(45(7)8)75(117)89-46(9)63(105)91-53(26-27-61(103)104)69(111)97-56(35-43(3)4)71(113)98-57(36-44(5)6)72(114)99-58(37-47-20-12-11-13-21-47)73(115)96-54(28-33-118-10)64(106)87-40-60(102)90-55/h11-13,20-21,39,41-46,49-59,62H,14-19,22-38,40,78-79H2,1-10H3,(H,84,88)(H,87,106)(H,89,117)(H,90,102)(H,91,105)(H,92,107)(H,93,109)(H,94,108)(H,95,112)(H,96,115)(H,97,111)(H,98,113)(H,99,114)(H,100,110)(H,101,116)(H,103,104)(H4,80,81,85)(H4,82,83,86)/t46-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
Affinity DataKd:  61nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521654(CHEMBL4541462)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C82H141N25O18S/c1-15-47(12)65(79(124)103-57(35-44(6)7)73(118)99-55(33-42(2)3)72(117)100-58(36-49-23-17-16-18-24-49)74(119)97-54(28-32-126-14)67(112)93-40-62(110)111)106-76(121)60(38-61(84)109)104-78(123)64(46(10)11)105-75(120)59(37-50-39-90-41-94-50)101-69(114)53(27-22-31-92-82(88)89)98-80(125)66(48(13)108)107-70(115)51(25-19-20-29-83)95-68(113)52(26-21-30-91-81(86)87)96-71(116)56(34-43(4)5)102-77(122)63(85)45(8)9/h16-18,23-24,39,41-48,51-60,63-66,108H,15,19-22,25-38,40,83,85H2,1-14H3,(H2,84,109)(H,90,94)(H,93,112)(H,95,113)(H,96,116)(H,97,119)(H,98,125)(H,99,118)(H,100,117)(H,101,114)(H,102,122)(H,103,124)(H,104,123)(H,105,120)(H,106,121)(H,107,115)(H,110,111)(H4,86,87,91)(H4,88,89,92)/t47-,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-,65-,66-/m0/s1
Affinity DataKd:  350nMAssay Description:Binding affinity to BRAF (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521664(CHEMBL4541688)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C100H165N29O25S/c1-16-55(12)79(96(151)122-68(40-52(6)7)88(143)118-66(38-50(2)3)87(142)119-70(41-58-24-18-17-19-25-58)90(145)116-65(33-37-155-15)82(137)111-47-76(136)113-69(42-59-29-31-61(133)32-30-59)89(144)124-73(48-130)93(148)129-81(57(14)132)98(153)154)127-92(147)72(44-74(103)134)123-95(150)78(54(10)11)126-91(146)71(43-60-46-108-49-112-60)120-84(139)64(28-23-36-110-100(106)107)117-97(152)80(56(13)131)128-85(140)62(26-20-21-34-101)114-83(138)63(27-22-35-109-99(104)105)115-86(141)67(39-51(4)5)121-94(149)77(53(8)9)125-75(135)45-102/h17-19,24-25,29-32,46,49-57,62-73,77-81,130-133H,16,20-23,26-28,33-45,47-48,101-102H2,1-15H3,(H2,103,134)(H,108,112)(H,111,137)(H,113,136)(H,114,138)(H,115,141)(H,116,145)(H,117,152)(H,118,143)(H,119,142)(H,120,139)(H,121,149)(H,122,151)(H,123,150)(H,124,144)(H,125,135)(H,126,146)(H,127,147)(H,128,140)(H,129,148)(H,153,154)(H4,104,105,109)(H4,106,107,110)/t55-,56+,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-,80-,81-/m0/s1
Affinity DataKd:  3.84E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521665(CHEMBL4542044)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C100H164N26O25S/c1-18-56(14)80(97(148)119-69(40-53(8)9)89(140)115-67(38-51(4)5)87(138)116-71(41-59-25-20-19-21-26-59)91(142)112-65(33-36-152-17)83(134)108-47-77(133)110-70(42-60-29-31-62(130)32-30-60)90(141)121-74(48-127)94(145)126-82(58(16)129)99(150)151)124-93(144)73(44-75(103)131)120-96(147)79(55(12)13)123-92(143)72(43-61-46-106-49-109-61)117-84(135)64(28-24-35-107-100(104)105)113-98(149)81(57(15)128)125-85(136)63(27-22-23-34-101)111-86(137)66(37-50(2)3)114-88(139)68(39-52(6)7)118-95(146)78(54(10)11)122-76(132)45-102/h19-21,25-26,29-32,46,49-58,63-74,78-82,127-130H,18,22-24,27-28,33-45,47-48,101-102H2,1-17H3,(H2,103,131)(H,106,109)(H,108,134)(H,110,133)(H,111,137)(H,112,142)(H,113,149)(H,114,139)(H,115,140)(H,116,138)(H,117,135)(H,118,146)(H,119,148)(H,120,147)(H,121,141)(H,122,132)(H,123,143)(H,124,144)(H,125,136)(H,126,145)(H,150,151)(H4,104,105,107)/t56-,57+,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-,79-,80-,81-,82-/m0/s1
Affinity DataKd:  540nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521666(CHEMBL4443036)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C101H167N29O25S/c1-16-56(12)80(97(152)123-69(41-53(6)7)89(144)117-66(34-29-51(2)3)86(141)120-71(42-59-24-18-17-19-25-59)91(146)118-67(35-39-156-15)83(138)112-48-77(137)114-70(43-60-30-32-62(134)33-31-60)90(145)125-74(49-131)94(149)130-82(58(14)133)99(154)155)128-93(148)73(45-75(104)135)124-96(151)79(55(10)11)127-92(147)72(44-61-47-109-50-113-61)121-85(140)65(28-23-38-111-101(107)108)119-98(153)81(57(13)132)129-87(142)63(26-20-21-36-102)115-84(139)64(27-22-37-110-100(105)106)116-88(143)68(40-52(4)5)122-95(150)78(54(8)9)126-76(136)46-103/h17-19,24-25,30-33,47,50-58,63-74,78-82,131-134H,16,20-23,26-29,34-46,48-49,102-103H2,1-15H3,(H2,104,135)(H,109,113)(H,112,138)(H,114,137)(H,115,139)(H,116,143)(H,117,144)(H,118,146)(H,119,153)(H,120,141)(H,121,140)(H,122,150)(H,123,152)(H,124,151)(H,125,145)(H,126,136)(H,127,147)(H,128,148)(H,129,142)(H,130,149)(H,154,155)(H4,105,106,110)(H4,107,108,111)/t56-,57+,58+,63-,64-,65-,66?,67-,68-,69-,70-,71-,72-,73-,74-,78-,79-,80-,81-,82-/m0/s1
Affinity DataKd:  1.25E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521667(CHEMBL4474883)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C84H143N25O19S/c1-16-48(12)67(81(127)105-59(36-45(6)7)75(121)101-57(34-43(2)3)74(120)102-60(37-51-24-18-17-19-25-51)76(122)99-56(29-33-129-15)69(115)94-41-64(113)114)108-78(124)62(39-63(86)112)106-80(126)66(47(10)11)107-77(123)61(38-52-40-91-42-95-52)103-71(117)55(28-23-32-93-84(89)90)100-82(128)68(49(13)110)109-72(118)53(26-20-21-30-85)97-70(116)54(27-22-31-92-83(87)88)98-73(119)58(35-44(4)5)104-79(125)65(46(8)9)96-50(14)111/h17-19,24-25,40,42-49,53-62,65-68,110H,16,20-23,26-39,41,85H2,1-15H3,(H2,86,112)(H,91,95)(H,94,115)(H,96,111)(H,97,116)(H,98,119)(H,99,122)(H,100,128)(H,101,121)(H,102,120)(H,103,117)(H,104,125)(H,105,127)(H,106,126)(H,107,123)(H,108,124)(H,109,118)(H,113,114)(H4,87,88,92)(H4,89,90,93)/t48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-,68-/m0/s1
Affinity DataKd:  800nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521668(CHEMBL4450992)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H139N23O18S/c1-16-45(12)62(76(119)98-55(36-42(6)7)71(114)95-53(34-40(2)3)70(113)96-56(37-48-24-18-17-19-25-48)72(115)93-52(29-33-121-15)65(108)89-39-59(105)106)101-73(116)57(38-58(81)104)99-75(118)61(44(10)11)100-64(107)46(13)90-66(109)50(27-22-31-87-78(83)84)94-77(120)63(47(14)103)102-68(111)49(26-20-21-30-80)91-67(110)51(28-23-32-88-79(85)86)92-69(112)54(35-41(4)5)97-74(117)60(82)43(8)9/h17-19,24-25,40-47,49-57,60-63,103H,16,20-23,26-39,80,82H2,1-15H3,(H2,81,104)(H,89,108)(H,90,109)(H,91,110)(H,92,112)(H,93,115)(H,94,120)(H,95,114)(H,96,113)(H,97,117)(H,98,119)(H,99,118)(H,100,107)(H,101,116)(H,102,111)(H,105,106)(H4,83,84,87)(H4,85,86,88)/t45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-,63-/m0/s1
Affinity DataKd:  2.70E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521669(CHEMBL4463173)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCSC)C(O)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C
Show InChI InChI=1S/C71H126N24O17S3/c1-13-38(10)54-67(109)89-46(27-35(4)5)59(101)87-45(26-34(2)3)60(102)91-49(64(106)86-44(69(111)112)21-25-113-12)31-114-115-32-50(92-65(107)52(74)36(6)7)63(105)84-42(19-16-23-80-70(75)76)56(98)83-41(18-14-15-22-72)58(100)95-55(39(11)96)68(110)85-43(20-17-24-81-71(77)78)57(99)88-47(28-40-30-79-33-82-40)61(103)93-53(37(8)9)66(108)90-48(29-51(73)97)62(104)94-54/h30,33-39,41-50,52-55,96H,13-29,31-32,72,74H2,1-12H3,(H2,73,97)(H,79,82)(H,83,98)(H,84,105)(H,85,110)(H,86,106)(H,87,101)(H,88,99)(H,89,109)(H,90,108)(H,91,102)(H,92,107)(H,93,103)(H,94,104)(H,95,100)(H,111,112)(H4,75,76,80)(H4,77,78,81)/t38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,52-,53-,54-,55-/m0/s1
Affinity DataKd:  360nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521670(CHEMBL4546018)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)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(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(C)C
Show InChI InChI=1S/C78H131N25O17S/c1-42(2)33-54-70(114)95-50(23-17-30-87-77(82)83)67(111)93-48(21-13-15-28-79)65(109)92-49(22-14-16-29-80)66(110)94-51(24-18-31-88-78(84)85)68(112)101-58(37-47-39-86-41-90-47)75(119)103-63(45(7)8)76(120)102-59(38-60(81)104)74(118)96-52(25-26-62(106)107)69(113)98-55(34-43(3)4)71(115)99-56(35-44(5)6)72(116)100-57(36-46-19-11-10-12-20-46)73(117)97-53(27-32-121-9)64(108)89-40-61(105)91-54/h10-12,19-20,39,41-45,48-59,63H,13-18,21-38,40,79-80H2,1-9H3,(H2,81,104)(H,86,90)(H,89,108)(H,91,105)(H,92,109)(H,93,111)(H,94,110)(H,95,114)(H,96,118)(H,97,117)(H,98,113)(H,99,115)(H,100,116)(H,101,112)(H,102,120)(H,103,119)(H,106,107)(H4,82,83,87)(H4,84,85,88)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
Affinity DataKd:  1.89E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521671(CHEMBL4448348)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H135N25O18S/c1-14-44(10)62(76(121)92-45(11)64(109)97-53(32-40(2)3)70(115)98-55(34-47-22-16-15-17-23-47)71(116)95-52(27-31-123-13)65(110)90-38-59(107)108)103-73(118)57(36-58(81)106)101-75(120)61(43(8)9)102-72(117)56(35-48-37-87-39-91-48)99-67(112)51(26-21-30-89-79(85)86)96-77(122)63(46(12)105)104-68(113)49(24-18-19-28-80)93-66(111)50(25-20-29-88-78(83)84)94-69(114)54(33-41(4)5)100-74(119)60(82)42(6)7/h15-17,22-23,37,39-46,49-57,60-63,105H,14,18-21,24-36,38,80,82H2,1-13H3,(H2,81,106)(H,87,91)(H,90,110)(H,92,121)(H,93,111)(H,94,114)(H,95,116)(H,96,122)(H,97,109)(H,98,115)(H,99,112)(H,100,119)(H,101,120)(H,102,117)(H,103,118)(H,104,113)(H,107,108)(H4,83,84,88)(H4,85,86,89)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-,63-/m0/s1
Affinity DataKd:  1.02E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521647(CHEMBL4447862)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C99H163N29O24S/c1-16-55(12)79(96(150)122-68(40-52(6)7)88(142)118-66(38-50(2)3)87(141)119-70(41-58-24-18-17-19-25-58)90(144)117-65(33-37-153-15)82(136)110-47-76(134)113-69(42-59-29-31-61(131)32-30-59)89(143)124-73(48-129)93(147)128-80(57(14)130)97(151)152)127-92(146)72(44-74(102)132)123-95(149)78(54(10)11)126-91(145)71(43-60-46-107-49-111-60)120-85(139)63(27-22-35-108-98(103)104)114-81(135)56(13)112-83(137)62(26-20-21-34-100)115-84(138)64(28-23-36-109-99(105)106)116-86(140)67(39-51(4)5)121-94(148)77(53(8)9)125-75(133)45-101/h17-19,24-25,29-32,46,49-57,62-73,77-80,129-131H,16,20-23,26-28,33-45,47-48,100-101H2,1-15H3,(H2,102,132)(H,107,111)(H,110,136)(H,112,137)(H,113,134)(H,114,135)(H,115,138)(H,116,140)(H,117,144)(H,118,142)(H,119,141)(H,120,139)(H,121,148)(H,122,150)(H,123,149)(H,124,143)(H,125,133)(H,126,145)(H,127,146)(H,128,147)(H,151,152)(H4,103,104,108)(H4,105,106,109)/t55-,56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-,80-/m0/s1
Affinity DataKd:  2.80E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521672(CHEMBL4444440)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C80H138N24O17S/c1-15-46(12)63(76(118)100-56(35-43(6)7)70(112)96-54(33-41(2)3)69(111)97-57(36-48-23-17-16-18-24-48)71(113)95-53(78(120)121)28-32-122-14)103-73(115)59(38-60(82)106)101-75(117)62(45(10)11)102-72(114)58(37-49-39-88-40-91-49)98-66(108)52(27-22-31-90-80(86)87)94-77(119)64(47(13)105)104-67(109)50(25-19-20-29-81)92-65(107)51(26-21-30-89-79(84)85)93-68(110)55(34-42(4)5)99-74(116)61(83)44(8)9/h16-18,23-24,39-47,50-59,61-64,105H,15,19-22,25-38,81,83H2,1-14H3,(H2,82,106)(H,88,91)(H,92,107)(H,93,110)(H,94,119)(H,95,113)(H,96,112)(H,97,111)(H,98,108)(H,99,116)(H,100,118)(H,101,117)(H,102,114)(H,103,115)(H,104,109)(H,120,121)(H4,84,85,89)(H4,86,87,90)/t46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-/m0/s1
Affinity DataKd:  5.75E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521673(CHEMBL4441999)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C77H131N21O17S/c1-15-45(12)62(75(114)94-55(33-43(8)9)70(109)91-54(32-42(6)7)69(108)92-56(34-47-22-17-16-18-23-47)71(110)88-52(26-29-116-14)65(104)85-38-60(101)102)97-73(112)58(36-59(80)100)95-74(113)61(44(10)11)96-72(111)57(35-48-37-83-39-86-48)93-66(105)51(25-21-28-84-77(81)82)89-76(115)63(46(13)99)98-67(106)50(24-19-20-27-78)87-68(107)53(31-41(4)5)90-64(103)49(79)30-40(2)3/h16-18,22-23,37,39-46,49-58,61-63,99H,15,19-21,24-36,38,78-79H2,1-14H3,(H2,80,100)(H,83,86)(H,85,104)(H,87,107)(H,88,110)(H,89,115)(H,90,103)(H,91,109)(H,92,108)(H,93,105)(H,94,114)(H,95,113)(H,96,111)(H,97,112)(H,98,106)(H,101,102)(H4,81,82,84)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1
Affinity DataKd:  550nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521674(CHEMBL4561891)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C100H165N29O25S/c1-16-54(11)78(95(150)120-67(40-51(5)6)89(144)126-79(55(12)17-2)96(151)121-69(41-58-25-19-18-20-26-58)88(143)116-65(34-38-155-15)82(137)111-47-75(136)113-68(42-59-30-32-61(133)33-31-59)87(142)123-72(48-130)92(147)129-81(57(14)132)98(153)154)127-91(146)71(44-73(103)134)122-94(149)77(53(9)10)125-90(145)70(43-60-46-108-49-112-60)118-84(139)64(29-24-37-110-100(106)107)117-97(152)80(56(13)131)128-85(140)62(27-21-22-35-101)114-83(138)63(28-23-36-109-99(104)105)115-86(141)66(39-50(3)4)119-93(148)76(52(7)8)124-74(135)45-102/h18-20,25-26,30-33,46,49-57,62-72,76-81,130-133H,16-17,21-24,27-29,34-45,47-48,101-102H2,1-15H3,(H2,103,134)(H,108,112)(H,111,137)(H,113,136)(H,114,138)(H,115,141)(H,116,143)(H,117,152)(H,118,139)(H,119,148)(H,120,150)(H,121,151)(H,122,149)(H,123,142)(H,124,135)(H,125,145)(H,126,144)(H,127,146)(H,128,140)(H,129,147)(H,153,154)(H4,104,105,109)(H4,106,107,110)/t54-,55-,56+,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-,79-,80-,81-/m0/s1
Affinity DataKd:  4.10E+3nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521662(CHEMBL4471788)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)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](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(CCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(C)C
Show InChI InChI=1S/C76H128N24O16S/c1-41(2)33-54-69(111)94-50(23-17-30-84-75(79)80)66(108)91-48(21-14-15-28-77)64(106)92-49(22-16-29-78)65(107)93-51(24-18-31-85-76(81)82)67(109)99-58(37-47-38-83-40-87-47)73(115)100-61(44(7)8)74(116)88-45(9)62(104)90-52(25-26-60(102)103)68(110)96-55(34-42(3)4)70(112)97-56(35-43(5)6)71(113)98-57(36-46-19-12-11-13-20-46)72(114)95-53(27-32-117-10)63(105)86-39-59(101)89-54/h11-13,19-20,38,40-45,48-58,61H,14-18,21-37,39,77-78H2,1-10H3,(H,83,87)(H,86,105)(H,88,116)(H,89,101)(H,90,104)(H,91,108)(H,92,106)(H,93,107)(H,94,111)(H,95,114)(H,96,110)(H,97,112)(H,98,113)(H,99,109)(H,100,115)(H,102,103)(H4,79,80,84)(H4,81,82,85)/t45-,48-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
Affinity DataKd:  310nMAssay Description:Binding affinity to BRAF (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50521645(CHEMBL4575624)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
Show InChI InChI=1S/C82H141N25O17S/c1-15-48(12)66(80(124)104-58(36-45(6)7)74(118)99-55(29-28-43(2)3)72(116)101-59(37-50-23-17-16-18-24-50)75(119)100-56(30-34-125-14)68(112)93-41-63(109)110)107-77(121)61(39-62(84)108)105-79(123)65(47(10)11)106-76(120)60(38-51-40-90-42-94-51)102-71(115)53(26-21-32-91-81(86)87)96-67(111)49(13)95-69(113)52(25-19-20-31-83)97-70(114)54(27-22-33-92-82(88)89)98-73(117)57(35-44(4)5)103-78(122)64(85)46(8)9/h16-18,23-24,40,42-49,52-61,64-66H,15,19-22,25-39,41,83,85H2,1-14H3,(H2,84,108)(H,90,94)(H,93,112)(H,95,113)(H,96,111)(H,97,114)(H,98,117)(H,99,118)(H,100,119)(H,101,116)(H,102,115)(H,103,122)(H,104,124)(H,105,123)(H,106,120)(H,107,121)(H,109,110)(H4,86,87,91)(H4,88,89,92)/t48-,49-,52-,53-,54-,55?,56-,57-,58-,59-,60-,61-,64-,65-,66-/m0/s1
Affinity DataKd:  490nMAssay Description:Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid