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Found 99 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide (CGRP alpha)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356281
PNG
(CHEMBL1910953)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C163H269N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356281
PNG
(CHEMBL1910953)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C163H269N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356282
PNG
(CHEMBL1910936)
Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31
Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126173
PNG
(US8778957, 87)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)C4Cc4ccccc4)nc3cc2C1
Show InChI InChI=1S/C34H33N5O2/c40-31-29(15-22-7-2-1-3-8-22)39(21-33(38-31)12-4-5-13-33)20-26-11-10-23-16-24-18-34(19-25(24)17-28(23)36-26)27-9-6-14-35-30(27)37-32(34)41/h1-3,6-11,14,16-17,29H,4-5,12-13,15,18-21H2,(H,38,40)(H,35,37,41)/t29?,34-/m0/s1
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US Patent
0.340n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126176
PNG
(US8778957, 84)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4C[C@@H](Cc5ccccc5)NC(=O)C4c4ccccc4)nc3cc2C1
Show InChI InChI=1S/C36H31N5O2/c42-34-32(24-10-5-2-6-11-24)41(22-29(39-34)16-23-8-3-1-4-9-23)21-28-14-13-25-17-26-19-36(20-27(26)18-31(25)38-28)30-12-7-15-37-33(30)40-35(36)43/h1-15,17-18,29,32H,16,19-22H2,(H,39,42)(H,37,40,43)/t29-,32?,36+/m1/s1
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0.720n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126178
PNG
(US8778957, 76)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CCNCC4)nc3cc2C1
Show InChI InChI=1S/C23H23N5O/c29-22-23(19-2-1-5-25-21(19)27-22)12-16-10-15-3-4-18(14-28-8-6-24-7-9-28)26-20(15)11-17(16)13-23/h1-5,10-11,24H,6-9,12-14H2,(H,25,27,29)/t23-/m0/s1
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US Patent
0.730n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126170
PNG
(US8778957, 3)
Show SMILES CC1(C)CN(Cc2ccc3cc4CC5(Cc4cc3n2)C(=O)Nc2ncccc52)[C@@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C32H31N5O2/c1-31(2)19-37(27(29(38)36-31)13-20-7-4-3-5-8-20)18-24-11-10-21-14-22-16-32(17-23(22)15-26(21)34-24)25-9-6-12-33-28(25)35-30(32)39/h3-12,14-15,27H,13,16-19H2,1-2H3,(H,36,38)(H,33,35,39)/t27-,32?/m0/s1
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0.770n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50224431
PNG
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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0.780n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126171
PNG
(US8778957, 11)
Show SMILES Fc1ccc(cc1)C1NCCN(Cc2ccc3cc4C[C@]5(CNc6ncccc56)Cc4cc3n2)C1=O
Show InChI InChI=1S/C29H26FN5O/c30-22-6-3-18(4-7-22)26-28(36)35(11-10-31-26)16-23-8-5-19-12-20-14-29(15-21(20)13-25(19)34-23)17-33-27-24(29)2-1-9-32-27/h1-9,12-13,26,31H,10-11,14-17H2,(H,32,33)/t26?,29-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126177
PNG
(US8778957, 88)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)[C@H]4Cc4ccccc4)nc3cc2C1
Show InChI InChI=1S/C34H33N5O2/c40-31-29(15-22-7-2-1-3-8-22)39(21-33(38-31)12-4-5-13-33)20-26-11-10-23-16-24-18-34(19-25(24)17-28(23)36-26)27-9-6-14-35-30(27)37-32(34)41/h1-3,6-11,14,16-17,29H,4-5,12-13,15,18-21H2,(H,38,40)(H,35,37,41)/t29-,34+/m1/s1
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US Patent
2.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126172
PNG
(US8778957, 19)
Show SMILES O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1
Show InChI InChI=1S/C27H22N4O2/c32-25-15-33-24-6-2-1-5-23(24)31(25)14-20-8-7-17-10-18-12-27(13-19(18)11-22(17)30-20)16-29-26-21(27)4-3-9-28-26/h1-11H,12-16H2,(H,28,29)/t27-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126172
PNG
(US8778957, 19)
Show SMILES O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1
Show InChI InChI=1S/C27H22N4O2/c32-25-15-33-24-6-2-1-5-23(24)31(25)14-20-8-7-17-10-18-12-27(13-19(18)11-22(17)30-20)16-29-26-21(27)4-3-9-28-26/h1-11H,12-16H2,(H,28,29)/t27-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126174
PNG
(US8778957, 64)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CCNCC4c4ccccc4)nc3cc2C1
Show InChI InChI=1S/C29H27N5O/c35-28-29(24-7-4-10-31-27(24)33-28)15-21-13-20-8-9-23(32-25(20)14-22(21)16-29)18-34-12-11-30-17-26(34)19-5-2-1-3-6-19/h1-10,13-14,26,30H,11-12,15-18H2,(H,31,33,35)/t26?,29-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356279
PNG
(CHEMBL1910937)
Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356279
PNG
(CHEMBL1910937)
Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356279
PNG
(CHEMBL1910937)
Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126175
PNG
(US8778957, 95)
Show SMILES CC1(Cc2ccccc2)N(Cc2ccc3cc4C[C@@]5(Cc4cc3n2)C(=O)Nc2ncccc52)CC2(CCCC2)NC1=O
Show InChI InChI=1S/C35H35N5O2/c1-33(18-23-8-3-2-4-9-23)31(41)39-34(13-5-6-14-34)22-40(33)21-27-12-11-24-16-25-19-35(20-26(25)17-29(24)37-27)28-10-7-15-36-30(28)38-32(35)42/h2-4,7-12,15-17H,5-6,13-14,18-22H2,1H3,(H,39,41)(H,36,38,42)/t33?,35-/m0/s1
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126182
PNG
(US8778957, 8)
Show SMILES CN1C(=O)NC(=O)C11Cc2cc3ccc(CN4C(=O)C(C)(C)Nc5ccccc45)nc3cc2C1
Show InChI InChI=1S/C26H25N5O3/c1-25(2)23(33)31(21-7-5-4-6-19(21)29-25)14-18-9-8-15-10-16-12-26(13-17(16)11-20(15)27-18)22(32)28-24(34)30(26)3/h4-11,29H,12-14H2,1-3H3,(H,28,32,34)
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US Patent
35n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126179
PNG
(US8778957, 69)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)C4c4ccccc4)nc3cc2C1
Show InChI InChI=1S/C33H31N5O2/c39-30-28(21-7-2-1-3-8-21)38(20-32(37-30)12-4-5-13-32)19-25-11-10-22-15-23-17-33(18-24(23)16-27(22)35-25)26-9-6-14-34-29(26)36-31(33)40/h1-3,6-11,14-16,28H,4-5,12-13,17-20H2,(H,37,39)(H,34,36,40)/t28?,33-/m0/s1
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43n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126180
PNG
(US8778957, 61)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc4C[C@@]5(Cc4cc3n2)C(=O)Nc2ncccc52)CC1c1ccccc1
Show InChI InChI=1S/C34H35N5O3/c1-33(2,3)42-32(41)39-15-14-38(21-29(39)22-8-5-4-6-9-22)20-26-12-11-23-16-24-18-34(19-25(24)17-28(23)36-26)27-10-7-13-35-30(27)37-31(34)40/h4-13,16-17,29H,14-15,18-21H2,1-3H3,(H,35,37,40)/t29?,34-/m0/s1
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58n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126189
PNG
(US8778957, 209)
Show SMILES CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc2C1
Show InChI InChI=1S/C26H29N5O2/c1-17-24(32)29-25(33)26(17)12-20-10-19-2-3-22(28-23(19)11-21(20)13-26)15-30-7-4-18(5-8-30)14-31-9-6-27-16-31/h2-3,6,9-11,16-18H,4-5,7-8,12-15H2,1H3,(H,29,32,33)
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85n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126181
PNG
(US8778957, 27)
Show SMILES CN1CC2CN(Cc3ccc4cc5CC6(Cc5cc4n3)C(=O)Nc3ncccc63)CC2C1
Show InChI InChI=1S/C26H27N5O/c1-30-11-19-13-31(14-20(19)12-30)15-21-5-4-16-7-17-9-26(10-18(17)8-23(16)28-21)22-3-2-6-27-24(22)29-25(26)32/h2-8,19-20H,9-15H2,1H3,(H,27,29,32)
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150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126190
PNG
(US8778957, 45)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCc5c(C4)[nH]c4ccccc54)nc3cc2C1
Show InChI InChI=1S/C30H25N5O/c36-29-30(24-5-3-10-31-28(24)34-29)14-19-12-18-7-8-21(32-26(18)13-20(19)15-30)16-35-11-9-23-22-4-1-2-6-25(22)33-27(23)17-35/h1-8,10,12-13,33H,9,11,14-17H2,(H,31,34,36)
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180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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710n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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840n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126187
PNG
(US8778957, 147)
Show SMILES CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc2C1
Show InChI InChI=1S/C29H31N3O2/c1-19-27(33)31-28(34)29(19)16-23-14-22-7-8-25(30-26(22)15-24(23)17-29)18-32-11-9-21(10-12-32)13-20-5-3-2-4-6-20/h2-8,14-15,19,21H,9-13,16-18H2,1H3,(H,31,33,34)
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US Patent
1.10E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356294
PNG
(CHEMBL1910949)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H22BrN3O6S/c1-16(2,3)26-12(21)9-18-15(23)13-14(22)10(17)8-11(19-13)20-6-4-5-7-27(20,24)25/h8,22H,4-7,9H2,1-3H3,(H,18,23)
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1.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126188
PNG
(US8778957, 184)
Show SMILES CC(C)[C@H]1CN(C)CCN1Cc1ccc2cc3CC4(Cc3cc2n1)C(C)C(=O)NC4=O
Show InChI InChI=1S/C25H32N4O2/c1-15(2)22-14-28(4)7-8-29(22)13-20-6-5-17-9-18-11-25(12-19(18)10-21(17)26-20)16(3)23(30)27-24(25)31/h5-6,9-10,15-16,22H,7-8,11-14H2,1-4H3,(H,27,30,31)/t16?,22-,25?/m1/s1
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US Patent
1.70E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356296
PNG
(CHEMBL1910951)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC1CCC1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H21BrN4O5S/c17-11-8-12(21-6-1-2-7-27(21,25)26)20-14(15(11)23)16(24)18-9-13(22)19-10-4-3-5-10/h8,10,23H,1-7,9H2,(H,18,24)(H,19,22)
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1.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356287
PNG
(CHEMBL1910941)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C20H18F2N4O4S/c21-13-8-12(9-14(22)10-13)11-24-20(28)17-18(27)16-15(4-3-5-23-16)19(25-17)26-6-1-2-7-31(26,29)30/h3-5,8-10,27H,1-2,6-7,11H2,(H,24,28)
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1.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
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2.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
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3.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126183
PNG
(US8778957, 7)
Show SMILES CN1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc2C1
Show InChI InChI=1S/C28H30N4O2/c1-31-27(34)30-26(33)28(31)16-22-14-21-7-8-24(29-25(21)15-23(22)17-28)18-32-11-9-20(10-12-32)13-19-5-3-2-4-6-19/h2-8,14-15,20H,9-13,16-18H2,1H3,(H,30,33,34)
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US Patent
3.80E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356286
PNG
(CHEMBL1910940)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-6-3-5-13(11-14)12-23-20(27)17-18(26)16-15(7-4-8-22-16)19(24-17)25-9-1-2-10-30(25,28)29/h3-8,11,26H,1-2,9-10,12H2,(H,23,27)
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5.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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5.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM23402
PNG
(5-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)-N-[(4-fluor...)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
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7.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126186
PNG
(US8778957, 115)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCC5(CC4)OCc4ccccc54)nc3cc2C1
Show InChI InChI=1S/C31H28N4O2/c36-29-30(26-6-3-11-32-28(26)34-29)16-22-14-20-7-8-24(33-27(20)15-23(22)17-30)18-35-12-9-31(10-13-35)25-5-2-1-4-21(25)19-37-31/h1-8,11,14-15H,9-10,12-13,16-19H2,(H,32,34,36)
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US Patent
7.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356278
PNG
(CHEMBL1910947)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
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7.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356285
PNG
(CHEMBL1910939)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Show InChI InChI=1S/C19H24N4O6S/c1-19(2,3)29-13(24)11-21-18(26)15-16(25)14-12(7-6-8-20-14)17(22-15)23-9-4-5-10-30(23,27)28/h6-8,25H,4-5,9-11H2,1-3H3,(H,21,26)
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8.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356295
PNG
(CHEMBL1910950)
Show SMILES CC(C)(C)NC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H23BrN4O5S/c1-16(2,3)20-12(22)9-18-15(24)13-14(23)10(17)8-11(19-13)21-6-4-5-7-27(21,25)26/h8,23H,4-7,9H2,1-3H3,(H,18,24)(H,20,22)
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1.10E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356284
PNG
(CHEMBL1910938)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C19H19N5O4S/c25-17-15-14(6-4-8-21-15)18(24-9-1-2-10-29(24,27)28)23-16(17)19(26)22-12-13-5-3-7-20-11-13/h3-8,11,25H,1-2,9-10,12H2,(H,22,26)
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1.40E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM126185
PNG
(US8778957, 114)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCC5(CC4)CC(=O)c4ccccc4O5)nc3cc2C1
Show InChI InChI=1S/C32H28N4O3/c37-27-18-31(39-28-6-2-1-4-24(27)28)9-12-36(13-10-31)19-23-8-7-20-14-21-16-32(17-22(21)15-26(20)34-23)25-5-3-11-33-29(25)35-30(32)38/h1-8,11,14-15H,9-10,12-13,16-19H2,(H,33,35,38)
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US Patent
1.50E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356283
PNG
(CHEMBL246535)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H20N4O4S/c25-18-16-15(9-6-10-21-16)19(24-11-4-5-12-29(24,27)28)23-17(18)20(26)22-13-14-7-2-1-3-8-14/h1-3,6-10,25H,4-5,11-13H2,(H,22,26)
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1.60E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356289
PNG
(CHEMBL1910943)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2ccccc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H20FN3O4S/c22-15-7-5-6-14(12-15)13-23-21(27)18-19(26)16-8-1-2-9-17(16)20(24-18)25-10-3-4-11-30(25,28)29/h1-2,5-9,12,26H,3-4,10-11,13H2,(H,23,27)
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2.60E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356292
PNG
(CHEMBL1910946)
Show SMILES Oc1ccc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C17H17F2N3O4S/c18-12-7-11(8-13(19)9-12)10-20-17(24)16-14(23)3-4-15(21-16)22-5-1-2-6-27(22,25)26/h3-4,7-9,23H,1-2,5-6,10H2,(H,20,24)
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PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50224431
PNG
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356288
PNG
(CHEMBL1910942)
Show SMILES Fc1ccc(CNC(=O)c2cc3ncccc3c(n2)N2CCCCS2(=O)=O)cc1
Show InChI InChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)13-23-20(26)18-12-17-16(4-3-9-22-17)19(24-18)25-10-1-2-11-29(25,27)28/h3-9,12H,1-2,10-11,13H2,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
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