Found 343 hits with Last Name = 'garnier' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110268
(CHEMBL2369895 | CSNLSTCVLGKLSQELc[DKLQK]YPRTNTGSGT...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C144H241N43O48S2/c1-65(2)47-85(174-139(231)110(70(11)12)182-136(228)98(64-237)180-141(233)113(73(15)194)185-135(227)97(62-191)179-129(221)89(51-69(9)10)171-130(222)90(53-103(150)199)172-134(226)95(60-189)177-116(208)77(147)63-236)117(209)157-56-106(202)160-78(25-17-19-41-145)119(211)168-88(50-68(7)8)128(220)178-96(61-190)133(225)166-83(36-39-102(149)198)123(215)164-84(37-40-109(205)206)124(216)170-87(49-67(5)6)127(219)173-92-55-105(201)155-43-21-27-80(162-122(214)82(35-38-101(148)197)165-126(218)86(48-66(3)4)169-120(212)79(163-131(92)223)26-18-20-42-146)121(213)176-93(52-75-31-33-76(196)34-32-75)142(234)187-46-24-30-100(187)137(229)167-81(28-22-44-156-144(153)154)125(217)184-112(72(14)193)140(232)175-91(54-104(151)200)132(224)183-111(71(13)192)138(230)159-57-107(203)161-94(59-188)118(210)158-58-108(204)181-114(74(16)195)143(235)186-45-23-29-99(186)115(152)207/h31-34,65-74,77-100,110-114,188-196,236-237H,17-30,35-64,145-147H2,1-16H3,(H2,148,197)(H2,149,198)(H2,150,199)(H2,151,200)(H2,152,207)(H,155,201)(H,157,209)(H,158,210)(H,159,230)(H,160,202)(H,161,203)(H,162,214)(H,163,223)(H,164,215)(H,165,218)(H,166,225)(H,167,229)(H,168,211)(H,169,212)(H,170,216)(H,171,222)(H,172,226)(H,173,219)(H,174,231)(H,175,232)(H,176,213)(H,177,208)(H,178,220)(H,179,221)(H,180,233)(H,181,204)(H,182,228)(H,183,224)(H,184,217)(H,185,227)(H,205,206)(H4,153,154,156)/t71-,72-,73-,74-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93?,94+,95+,96+,97+,98+,99-,100-,110+,111+,112+,113+,114+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50024170
(CHEMBL2369912)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2cn(-[#7])cn2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C146H243N45O47S2/c1-67(2)46-87(177-141(234)112(72(11)12)185-138(231)101(65-240)183-143(236)115(75(15)198)188-137(230)100(63-195)182-130(223)91(50-71(9)10)173-132(225)93(53-105(151)202)175-136(229)98(61-193)180-118(211)80(149)64-239)119(212)159-56-108(205)163-81(26-17-20-40-147)121(214)170-90(49-70(7)8)129(222)181-99(62-194)135(228)168-85(36-38-104(150)201)124(217)167-86(37-39-111(208)209)125(218)172-89(48-69(5)6)128(221)176-95-55-107(204)157-42-22-19-28-83(165-131(224)92(52-78-59-189(156)66-162-78)174-127(220)88(47-68(3)4)171-122(215)82(166-133(95)226)27-18-21-41-148)123(216)179-96(51-77-32-34-79(200)35-33-77)144(237)191-45-25-31-103(191)139(232)169-84(29-23-43-158-146(154)155)126(219)187-114(74(14)197)142(235)178-94(54-106(152)203)134(227)186-113(73(13)196)140(233)161-57-109(206)164-97(60-192)120(213)160-58-110(207)184-116(76(16)199)145(238)190-44-24-30-102(190)117(153)210/h32-35,59,66-76,80-103,112-116,192-200,239-240H,17-31,36-58,60-65,147-149,156H2,1-16H3,(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,210)(H,157,204)(H,159,212)(H,160,213)(H,161,233)(H,163,205)(H,164,206)(H,165,224)(H,166,226)(H,167,217)(H,168,228)(H,169,232)(H,170,214)(H,171,215)(H,172,218)(H,173,225)(H,174,220)(H,175,229)(H,176,221)(H,177,234)(H,178,235)(H,179,216)(H,180,211)(H,181,222)(H,182,223)(H,183,236)(H,184,207)(H,185,231)(H,186,227)(H,187,219)(H,188,230)(H,208,209)(H4,154,155,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110272
(CHEMBL2369907 | CSNLSTCVLGKLSQELc[DKLHK]YPRTNTGSGT...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cn(N)cn2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C146H243N45O47S2/c1-67(2)46-87(177-141(234)112(72(11)12)185-138(231)101(65-240)183-143(236)115(75(15)198)188-137(230)100(63-195)182-130(223)91(50-71(9)10)173-132(225)93(53-105(151)202)175-136(229)98(61-193)180-118(211)80(149)64-239)119(212)159-56-108(205)163-81(26-17-20-40-147)121(214)170-90(49-70(7)8)129(222)181-99(62-194)135(228)168-85(36-38-104(150)201)124(217)167-86(37-39-111(208)209)125(218)172-89(48-69(5)6)128(221)176-95-55-107(204)157-42-22-19-28-83(165-131(224)92(52-78-59-189(156)66-162-78)174-127(220)88(47-68(3)4)171-122(215)82(166-133(95)226)27-18-21-41-148)123(216)179-96(51-77-32-34-79(200)35-33-77)144(237)191-45-25-31-103(191)139(232)169-84(29-23-43-158-146(154)155)126(219)187-114(74(14)197)142(235)178-94(54-106(152)203)134(227)186-113(73(13)196)140(233)161-57-109(206)164-97(60-192)120(213)160-58-110(207)184-116(76(16)199)145(238)190-44-24-30-102(190)117(153)210/h32-35,59,66-76,80-103,112-116,192-200,239-240H,17-31,36-58,60-65,147-149,156H2,1-16H3,(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,210)(H,157,204)(H,159,212)(H,160,213)(H,161,233)(H,163,205)(H,164,206)(H,165,224)(H,166,226)(H,167,217)(H,168,228)(H,169,232)(H,170,214)(H,171,215)(H,172,218)(H,173,225)(H,174,220)(H,175,229)(H,176,221)(H,177,234)(H,178,235)(H,179,216)(H,180,211)(H,181,222)(H,182,223)(H,183,236)(H,184,207)(H,185,231)(H,186,227)(H,187,219)(H,188,230)(H,208,209)(H4,154,155,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96?,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110275
(CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide | CHEMBL2...)Show SMILES CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(Cc2cnc[nH]2)C(=O)NC(Cc2ccccc2)C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C152H229N39O43S2/c1-16-18-39-94(171-143(225)108(73-236)183-150(232)125(84(15)196)189-142(224)107(71-192)182-135(217)99(57-76(5)6)176-138(220)103(63-113(157)200)169-116(203)68-161-129(211)91(154)72-235)132(214)175-98(56-75(3)4)130(212)162-69-118(205)185-122(81(12)193)148(230)180-101(60-87-37-26-21-27-38-87)141(223)188-124(83(14)195)149(231)173-95(48-50-111(155)198)133(215)179-105(65-119(206)207)140(222)177-100(59-86-35-24-20-25-36-86)136(218)178-104-64-114(201)160-53-30-41-93(168-102(62-89-66-159-74-165-89)137(219)174-97(58-85-33-22-19-23-34-85)126(208)92(170-139(104)221)40-28-29-52-153)131(213)181-106(61-88-44-46-90(197)47-45-88)152(234)191-55-32-43-110(191)144(226)172-96(49-51-112(156)199)134(216)187-123(82(13)194)147(229)167-79(10)128(210)186-121(78(9)17-2)146(228)164-70-117(204)184-120(77(7)8)145(227)163-67-115(202)166-80(11)151(233)190-54-31-42-109(190)127(158)209/h19-27,33-38,44-47,66,74-84,91-110,120-125,168,192-197,235-236H,16-18,28-32,39-43,48-65,67-73,153-154H2,1-15H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,209)(H,159,165)(H,160,201)(H,161,211)(H,162,212)(H,163,227)(H,164,228)(H,166,202)(H,167,229)(H,169,203)(H,170,221)(H,171,225)(H,172,226)(H,173,231)(H,174,219)(H,175,214)(H,176,220)(H,177,222)(H,178,218)(H,179,215)(H,180,230)(H,181,213)(H,182,217)(H,183,232)(H,184,204)(H,185,205)(H,186,210)(H,187,216)(H,188,223)(H,189,224)(H,206,207)/t78-,79-,80-,81+,82+,83+,84+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110265
(CHEMBL2369886 | CSNLSTCVLGKLSQELc[DKLHO]YPRTNTGSGT...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2cn(-[#7])cn2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C145H241N45O47S2/c1-66(2)45-86(176-140(233)111(71(11)12)184-137(230)100(64-239)182-142(235)114(74(15)197)187-136(229)99(62-194)181-129(222)90(49-70(9)10)172-131(224)92(52-104(150)201)174-135(228)97(60-192)179-117(210)79(148)63-238)118(211)158-55-107(204)162-80(25-17-19-39-146)120(213)169-89(48-69(7)8)128(221)180-98(61-193)134(227)167-84(35-37-103(149)200)123(216)166-85(36-38-110(207)208)124(217)171-88(47-68(5)6)127(220)175-94-54-106(203)156-41-21-27-82(165-130(223)91(51-77-58-188(155)65-161-77)173-126(219)87(46-67(3)4)170-121(214)81(164-132(94)225)26-18-20-40-147)122(215)178-95(50-76-31-33-78(199)34-32-76)143(236)190-44-24-30-102(190)138(231)168-83(28-22-42-157-145(153)154)125(218)186-113(73(14)196)141(234)177-93(53-105(151)202)133(226)185-112(72(13)195)139(232)160-56-108(205)163-96(59-191)119(212)159-57-109(206)183-115(75(16)198)144(237)189-43-23-29-101(189)116(152)209/h31-34,58,65-75,79-102,111-115,191-199,238-239H,17-30,35-57,59-64,146-148,155H2,1-16H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,209)(H,156,203)(H,158,211)(H,159,212)(H,160,232)(H,162,204)(H,163,205)(H,164,225)(H,165,223)(H,166,216)(H,167,227)(H,168,231)(H,169,213)(H,170,214)(H,171,217)(H,172,224)(H,173,219)(H,174,228)(H,175,220)(H,176,233)(H,177,234)(H,178,215)(H,179,210)(H,180,221)(H,181,222)(H,182,235)(H,183,206)(H,184,230)(H,185,226)(H,186,218)(H,187,229)(H,207,208)(H4,153,154,157)/t72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95?,96+,97+,98+,99+,100+,101-,102-,111+,112+,113+,114+,115+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110273
(CGNLSTCMLGTYTQDFc[DKFHK]FPQTAIGVGAP-amide | CHEMBL...)Show SMILES CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C152H229N39O43S3/c1-16-78(8)121(146(228)164-70-117(204)184-120(77(6)7)145(227)163-67-115(202)166-80(10)151(233)190-53-30-40-109(190)127(158)209)186-128(210)79(9)167-147(229)123(82(12)194)187-134(216)95(47-49-112(156)199)172-144(226)110-41-31-54-191(110)152(234)106(61-87-36-24-19-25-37-87)181-131(213)93-39-27-29-52-160-114(201)64-104(139(221)170-92(38-26-28-51-153)126(208)97(58-85-32-20-17-21-33-85)174-137(219)102(168-93)62-89-66-159-74-165-89)178-136(218)100(59-86-34-22-18-23-35-86)177-140(222)105(65-119(206)207)179-132(214)94(46-48-111(155)198)173-149(231)124(83(13)195)188-141(223)101(60-88-42-44-90(197)45-43-88)180-148(230)122(81(11)193)185-118(205)69-162-130(212)98(56-75(2)3)175-133(215)96(50-55-237-15)171-143(225)108(73-236)183-150(232)125(84(14)196)189-142(224)107(71-192)182-135(217)99(57-76(4)5)176-138(220)103(63-113(157)200)169-116(203)68-161-129(211)91(154)72-235/h17-25,32-37,42-45,66,74-84,91-110,120-125,168,192-197,235-236H,16,26-31,38-41,46-65,67-73,153-154H2,1-15H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,209)(H,159,165)(H,160,201)(H,161,211)(H,162,212)(H,163,227)(H,164,228)(H,166,202)(H,167,229)(H,169,203)(H,170,221)(H,171,225)(H,172,226)(H,173,231)(H,174,219)(H,175,215)(H,176,220)(H,177,222)(H,178,218)(H,179,214)(H,180,230)(H,181,213)(H,182,217)(H,183,232)(H,184,204)(H,185,205)(H,186,210)(H,187,216)(H,188,223)(H,189,224)(H,206,207)/t78-,79-,80-,81+,82+,83+,84+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110267
(CGNLSTCBLGTYTQDFNKFHZYPQTAIGVGAP-amide | CHEMBL236...)Show SMILES CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]cn1)N[C@@H](CCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C152H231N39O44S2/c1-17-20-36-94(171-143(226)108(72-237)183-150(233)125(83(16)196)189-142(225)107(70-192)182-135(218)99(56-75(6)7)176-138(221)103(62-113(157)201)169-116(204)67-161-129(212)91(154)71-236)132(215)175-98(55-74(4)5)130(213)162-68-118(206)185-122(80(13)193)148(231)180-101(59-86-40-44-89(197)45-41-86)141(224)188-124(82(15)195)149(232)173-95(48-50-111(155)199)133(216)179-105(64-119(207)208)140(223)177-100(58-85-34-25-22-26-35-85)136(219)178-104(63-114(158)202)139(222)170-92(37-27-28-52-153)126(209)97(57-84-32-23-21-24-33-84)174-137(220)102(61-88-65-160-73-165-88)168-93(31-18-2)131(214)181-106(60-87-42-46-90(198)47-43-87)152(235)191-54-30-39-110(191)144(227)172-96(49-51-112(156)200)134(217)187-123(81(14)194)147(230)167-78(11)128(211)186-121(77(10)19-3)146(229)164-69-117(205)184-120(76(8)9)145(228)163-66-115(203)166-79(12)151(234)190-53-29-38-109(190)127(159)210/h21-26,32-35,40-47,65,73-83,91-110,120-125,168,192-198,236-237H,17-20,27-31,36-39,48-64,66-72,153-154H2,1-16H3,(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,202)(H2,159,210)(H,160,165)(H,161,212)(H,162,213)(H,163,228)(H,164,229)(H,166,203)(H,167,230)(H,169,204)(H,170,222)(H,171,226)(H,172,227)(H,173,232)(H,174,220)(H,175,215)(H,176,221)(H,177,223)(H,178,219)(H,179,216)(H,180,231)(H,181,214)(H,182,218)(H,183,233)(H,184,205)(H,185,206)(H,186,211)(H,187,217)(H,188,224)(H,189,225)(H,207,208)/t77-,78-,79-,80+,81+,82+,83+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110271
(CGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAP-amide | CHEMBL236...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C150H227N39O44S3/c1-17-75(8)118(143(226)162-67-114(203)182-117(74(6)7)142(225)161-64-112(201)164-77(10)149(232)188-50-29-38-106(188)125(157)208)184-126(209)76(9)165-144(227)121(80(13)193)185-131(214)92(45-47-109(154)198)170-141(224)107-39-30-51-189(107)150(233)103(58-85-35-25-20-26-36-85)179-145(228)119(78(11)191)167-99(59-87-63-158-71-163-87)134(217)172-94(55-83-31-21-18-22-32-83)124(207)90(37-27-28-49-151)168-136(219)101(61-111(156)200)176-133(216)97(56-84-33-23-19-24-34-84)175-137(220)102(62-116(205)206)177-129(212)91(44-46-108(153)197)171-147(230)122(81(14)194)186-138(221)98(57-86-40-42-88(196)43-41-86)178-146(229)120(79(12)192)183-115(204)66-160-128(211)95(53-72(2)3)173-130(213)93(48-52-236-16)169-140(223)105(70-235)181-148(231)123(82(15)195)187-139(222)104(68-190)180-132(215)96(54-73(4)5)174-135(218)100(60-110(155)199)166-113(202)65-159-127(210)89(152)69-234/h18-26,31-36,40-43,63,71-82,89-107,117-123,167,190-196,234-235H,17,27-30,37-39,44-62,64-70,151-152H2,1-16H3,(H2,153,197)(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,208)(H,158,163)(H,159,210)(H,160,211)(H,161,225)(H,162,226)(H,164,201)(H,165,227)(H,166,202)(H,168,219)(H,169,223)(H,170,224)(H,171,230)(H,172,217)(H,173,213)(H,174,218)(H,175,220)(H,176,216)(H,177,212)(H,178,229)(H,179,228)(H,180,215)(H,181,231)(H,182,203)(H,183,204)(H,184,209)(H,185,214)(H,186,221)(H,187,222)(H,205,206)/t75-,76-,77-,78+,79+,80+,81+,82+,89-,90-,91-,92-,93-,94?,95-,96-,97-,98-,99?,100-,101-,102-,103-,104-,105-,106+,107+,117-,118-,119-,120-,121-,122-,123-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417543
(CHEMBL1632210)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)c3ccccc3)c2)CC1 Show InChI InChI=1S/C29H30N4O/c1-22-13-14-26-27(30-22)11-6-12-28(26)33-19-17-32(18-20-33)16-15-23-7-5-10-25(21-23)31-29(34)24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50024171
(CHEMBL2369899)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)N1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C152H229N39O43S3/c1-16-78(8)121(146(228)164-70-117(204)184-120(77(6)7)145(227)163-67-115(202)166-80(10)151(233)190-53-30-40-109(190)127(158)209)186-128(210)79(9)167-147(229)123(82(12)194)187-134(216)95(47-49-112(156)199)172-144(226)110-41-31-54-191(110)152(234)106(61-87-36-24-19-25-37-87)181-131(213)93-39-27-29-52-160-114(201)64-104(139(221)170-92(38-26-28-51-153)126(208)97(58-85-32-20-17-21-33-85)174-137(219)102(168-93)62-89-66-159-74-165-89)178-136(218)100(59-86-34-22-18-23-35-86)177-140(222)105(65-119(206)207)179-132(214)94(46-48-111(155)198)173-149(231)124(83(13)195)188-141(223)101(60-88-42-44-90(197)45-43-88)180-148(230)122(81(11)193)185-118(205)69-162-130(212)98(56-75(2)3)175-133(215)96(50-55-237-15)171-143(225)108(73-236)183-150(232)125(84(14)196)189-142(224)107(71-192)182-135(217)99(57-76(4)5)176-138(220)103(63-113(157)200)169-116(203)68-161-129(211)91(154)72-235/h17-25,32-37,42-45,66,74-84,91-110,120-125,168,192-197,235-236H,16,26-31,38-41,46-65,67-73,153-154H2,1-15H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,209)(H,159,165)(H,160,201)(H,161,211)(H,162,212)(H,163,227)(H,164,228)(H,166,202)(H,167,229)(H,169,203)(H,170,221)(H,171,225)(H,172,226)(H,173,231)(H,174,219)(H,175,215)(H,176,220)(H,177,222)(H,178,218)(H,179,214)(H,180,230)(H,181,213)(H,182,217)(H,183,232)(H,184,204)(H,185,205)(H,186,210)(H,187,216)(H,188,223)(H,189,224)(H,206,207)/t78-,79-,80-,81+,82+,83+,84+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417549
(CHEMBL1632223)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 Show InChI InChI=1S/C29H31N5O/c1-22-13-14-26-27(30-22)11-6-12-28(26)34-19-17-33(18-20-34)16-15-23-7-5-10-25(21-23)32-29(35)31-24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H2,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417544
(CHEMBL1632218)Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C27H29N5OS/c1-19-9-10-23-24(28-19)7-4-8-26(23)32-15-13-31(14-16-32)12-11-21-5-3-6-22(17-21)30-27(33)25-18-34-20(2)29-25/h3-10,17-18H,11-16H2,1-2H3,(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110266
(CGNLSTCMLGTYTQDFNKPHTFPQTAIGVGAP-amide | CHEMBL236...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C146H225N39O44S3/c1-17-72(8)114(138(221)158-64-110(199)177-113(71(6)7)137(220)157-61-108(197)160-74(10)144(227)184-48-27-35-102(184)121(153)204)179-122(205)73(9)161-139(222)117(77(13)189)180-127(210)88(42-44-105(150)194)166-136(219)103-36-28-49-185(103)145(228)97(55-81-31-22-19-23-32-81)174-140(223)115(75(11)187)163-98(56-83-60-154-68-159-83)146(229)183-47-26-34-101(183)120(203)86(33-24-25-46-147)164-131(214)95(58-107(152)196)171-129(212)92(53-80-29-20-18-21-30-80)170-132(215)96(59-112(201)202)172-125(208)87(41-43-104(149)193)167-142(225)118(78(14)190)181-133(216)93(54-82-37-39-84(192)40-38-82)173-141(224)116(76(12)188)178-111(200)63-156-124(207)90(51-69(2)3)168-126(209)89(45-50-232-16)165-135(218)100(67-231)176-143(226)119(79(15)191)182-134(217)99(65-186)175-128(211)91(52-70(4)5)169-130(213)94(57-106(151)195)162-109(198)62-155-123(206)85(148)66-230/h18-23,29-32,37-40,60,68-79,85-103,113-119,163,186-192,230-231H,17,24-28,33-36,41-59,61-67,147-148H2,1-16H3,(H2,149,193)(H2,150,194)(H2,151,195)(H2,152,196)(H2,153,204)(H,154,159)(H,155,206)(H,156,207)(H,157,220)(H,158,221)(H,160,197)(H,161,222)(H,162,198)(H,164,214)(H,165,218)(H,166,219)(H,167,225)(H,168,209)(H,169,213)(H,170,215)(H,171,212)(H,172,208)(H,173,224)(H,174,223)(H,175,211)(H,176,226)(H,177,199)(H,178,200)(H,179,205)(H,180,210)(H,181,216)(H,182,217)(H,201,202)/t72-,73-,74-,75+,76+,77+,78+,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98?,99-,100-,101?,102+,103+,113-,114-,115-,116-,117-,118-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417545
(CHEMBL1631535)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C23H28N4O2S/c1-18-9-10-21-22(24-18)7-4-8-23(21)27-15-13-26(14-16-27)12-11-19-5-3-6-20(17-19)25-30(2,28)29/h3-10,17,25H,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417546
(CHEMBL1632220)Show SMILES CCNC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C25H31N5O/c1-3-26-25(31)28-21-7-4-6-20(18-21)12-13-29-14-16-30(17-15-29)24-9-5-8-23-22(24)11-10-19(2)27-23/h4-11,18H,3,12-17H2,1-2H3,(H2,26,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50422415
(CHEMBL2304022)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O Show InChI InChI=1S/C149H222N38O44S3/c1-17-74(8)117(141(223)160-66-113(201)179-116(73(6)7)140(222)159-63-111(199)162-76(10)147(229)186-49-28-37-105(186)124(155)206)181-125(207)75(9)163-142(224)120(79(13)191)182-130(212)90(44-46-108(152)196)167-139(221)106-38-29-50-187(106)148(230)100(57-84-34-25-20-26-35-84)176-143(225)118(77(11)189)165-97(58-86-62-156-70-161-86)133(215)169-92(54-82-30-21-18-22-31-82)123(205)104-36-27-48-185(104)149(231)101(60-110(154)198)175-132(214)95(55-83-32-23-19-24-33-83)172-135(217)99(61-115(203)204)173-128(210)89(43-45-107(151)195)168-145(227)121(80(14)192)183-136(218)96(56-85-39-41-87(194)42-40-85)174-144(226)119(78(12)190)180-114(202)65-158-127(209)93(52-71(2)3)170-129(211)91(47-51-234-16)166-138(220)103(69-233)178-146(228)122(81(15)193)184-137(219)102(67-188)177-131(213)94(53-72(4)5)171-134(216)98(59-109(153)197)164-112(200)64-157-126(208)88(150)68-232/h18-26,30-35,39-42,62,70-81,88-106,116-122,165,188-194,232-233H,17,27-29,36-38,43-61,63-69,150H2,1-16H3,(H2,151,195)(H2,152,196)(H2,153,197)(H2,154,198)(H2,155,206)(H,156,161)(H,157,208)(H,158,209)(H,159,222)(H,160,223)(H,162,199)(H,163,224)(H,164,200)(H,166,220)(H,167,221)(H,168,227)(H,169,215)(H,170,211)(H,171,216)(H,172,217)(H,173,210)(H,174,226)(H,175,214)(H,176,225)(H,177,213)(H,178,228)(H,179,201)(H,180,202)(H,181,207)(H,182,212)(H,183,218)(H,184,219)(H,203,204)/t74-,75-,76-,77+,78+,79-,80+,81+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,116-,117-,118-,119-,120-,121-,122-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417548
(CHEMBL1631542)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCOC2=O)CC1 Show InChI InChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110276
(CGNLSTCMLGTYTQDFNPKHTFPQTAIGVGAP-amide | CHEMBL236...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C146H225N39O44S3/c1-17-72(8)114(138(221)158-64-110(199)177-113(71(6)7)137(220)157-61-108(197)160-74(10)144(227)184-48-27-35-102(184)121(153)204)179-122(205)73(9)161-139(222)117(77(13)189)180-127(210)88(42-44-105(150)194)166-136(219)103-36-28-49-185(103)145(228)97(55-81-31-22-19-23-32-81)174-140(223)115(75(11)187)163-94(56-83-60-154-68-159-83)130(213)164-86(33-24-25-46-147)120(203)101-34-26-47-183(101)146(229)98(58-107(152)196)173-129(212)92(53-80-29-20-18-21-30-80)170-132(215)96(59-112(201)202)171-125(208)87(41-43-104(149)193)167-142(225)118(78(14)190)181-133(216)93(54-82-37-39-84(192)40-38-82)172-141(224)116(76(12)188)178-111(200)63-156-124(207)90(51-69(2)3)168-126(209)89(45-50-232-16)165-135(218)100(67-231)176-143(226)119(79(15)191)182-134(217)99(65-186)175-128(211)91(52-70(4)5)169-131(214)95(57-106(151)195)162-109(198)62-155-123(206)85(148)66-230/h18-23,29-32,37-40,60,68-79,85-103,113-119,163,186-192,230-231H,17,24-28,33-36,41-59,61-67,147-148H2,1-16H3,(H2,149,193)(H2,150,194)(H2,151,195)(H2,152,196)(H2,153,204)(H,154,159)(H,155,206)(H,156,207)(H,157,220)(H,158,221)(H,160,197)(H,161,222)(H,162,198)(H,164,213)(H,165,218)(H,166,219)(H,167,225)(H,168,209)(H,169,214)(H,170,215)(H,171,208)(H,172,224)(H,173,212)(H,174,223)(H,175,211)(H,176,226)(H,177,199)(H,178,200)(H,179,205)(H,180,210)(H,181,216)(H,182,217)(H,201,202)/t72-,73-,74-,75+,76+,77+,78+,79+,85-,86?,87-,88-,89-,90-,91-,92-,93-,94?,95-,96-,97-,98-,99-,100-,101?,102+,103+,113-,114-,115-,116-,117-,118-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50110274
(CGNLSTCMLGTYTQDFNPGHTFPQTAIGVGAP-amide | CHEMBL236...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N[C@@H](Cc1c[nH]cn1)C(=O)NC(CCCCN)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C142H216N38O44S3/c1-17-69(8)111(134(216)154-61-107(195)172-110(68(6)7)133(215)153-58-105(193)156-71(10)140(222)179-44-25-32-98(179)117(148)199)174-118(200)70(9)157-135(217)114(74(13)184)175-124(206)84(39-41-102(145)190)161-132(214)99-33-26-45-180(99)141(223)93(51-78-29-22-19-23-30-78)169-136(218)112(72(11)182)159-90(52-80-56-149-65-155-80)121(203)150-57-100(188)97-31-24-43-178(97)142(224)94(54-104(147)192)168-126(208)88(49-77-27-20-18-21-28-77)165-128(210)92(55-109(197)198)166-122(204)83(38-40-101(144)189)162-138(220)115(75(14)185)176-129(211)89(50-79-34-36-81(187)37-35-79)167-137(219)113(73(12)183)173-108(196)60-152-120(202)86(47-66(2)3)163-123(205)85(42-46-227-16)160-131(213)96(64-226)171-139(221)116(76(15)186)177-130(212)95(62-181)170-125(207)87(48-67(4)5)164-127(209)91(53-103(146)191)158-106(194)59-151-119(201)82(143)63-225/h18-23,27-30,34-37,56,65-76,82-99,110-116,159,181-187,225-226H,17,24-26,31-33,38-55,57-64,143H2,1-16H3,(H2,144,189)(H2,145,190)(H2,146,191)(H2,147,192)(H2,148,199)(H,149,155)(H,150,203)(H,151,201)(H,152,202)(H,153,215)(H,154,216)(H,156,193)(H,157,217)(H,158,194)(H,160,213)(H,161,214)(H,162,220)(H,163,205)(H,164,209)(H,165,210)(H,166,204)(H,167,219)(H,168,208)(H,169,218)(H,170,207)(H,171,221)(H,172,195)(H,173,196)(H,174,200)(H,175,206)(H,176,211)(H,177,212)(H,197,198)/t69-,70-,71-,72+,73+,74+,75+,76+,82-,83-,84-,85-,86-,87-,88-,89-,90?,91-,92-,93-,94-,95-,96-,97?,98+,99+,110-,111-,112-,113-,114-,115-,116-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417547
(CHEMBL1632206)Show SMILES CC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C24H28N4O/c1-18-9-10-22-23(25-18)7-4-8-24(22)28-15-13-27(14-16-28)12-11-20-5-3-6-21(17-20)26-19(2)29/h3-10,17H,11-16H2,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Calcitonin receptor
(Rattus norvegicus) | BDBM50024170
(CHEMBL2369912)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2cn(-[#7])cn2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C146H243N45O47S2/c1-67(2)46-87(177-141(234)112(72(11)12)185-138(231)101(65-240)183-143(236)115(75(15)198)188-137(230)100(63-195)182-130(223)91(50-71(9)10)173-132(225)93(53-105(151)202)175-136(229)98(61-193)180-118(211)80(149)64-239)119(212)159-56-108(205)163-81(26-17-20-40-147)121(214)170-90(49-70(7)8)129(222)181-99(62-194)135(228)168-85(36-38-104(150)201)124(217)167-86(37-39-111(208)209)125(218)172-89(48-69(5)6)128(221)176-95-55-107(204)157-42-22-19-28-83(165-131(224)92(52-78-59-189(156)66-162-78)174-127(220)88(47-68(3)4)171-122(215)82(166-133(95)226)27-18-21-41-148)123(216)179-96(51-77-32-34-79(200)35-33-77)144(237)191-45-25-31-103(191)139(232)169-84(29-23-43-158-146(154)155)126(219)187-114(74(14)197)142(235)178-94(54-106(152)203)134(227)186-113(73(13)196)140(233)161-57-109(206)164-97(60-192)120(213)160-58-110(207)184-116(76(16)199)145(238)190-44-24-30-102(190)117(153)210/h32-35,59,66-76,80-103,112-116,192-200,239-240H,17-31,36-58,60-65,147-149,156H2,1-16H3,(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,210)(H,157,204)(H,159,212)(H,160,213)(H,161,233)(H,163,205)(H,164,206)(H,165,224)(H,166,226)(H,167,217)(H,168,228)(H,169,232)(H,170,214)(H,171,215)(H,172,218)(H,173,225)(H,174,220)(H,175,229)(H,176,221)(H,177,234)(H,178,235)(H,179,216)(H,180,211)(H,181,222)(H,182,223)(H,183,236)(H,184,207)(H,185,231)(H,186,227)(H,187,219)(H,188,230)(H,208,209)(H4,154,155,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Calcitonin receptor
(Rattus norvegicus) | BDBM50110265
(CHEMBL2369886 | CSNLSTCVLGKLSQELc[DKLHO]YPRTNTGSGT...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2cn(-[#7])cn2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C145H241N45O47S2/c1-66(2)45-86(176-140(233)111(71(11)12)184-137(230)100(64-239)182-142(235)114(74(15)197)187-136(229)99(62-194)181-129(222)90(49-70(9)10)172-131(224)92(52-104(150)201)174-135(228)97(60-192)179-117(210)79(148)63-238)118(211)158-55-107(204)162-80(25-17-19-39-146)120(213)169-89(48-69(7)8)128(221)180-98(61-193)134(227)167-84(35-37-103(149)200)123(216)166-85(36-38-110(207)208)124(217)171-88(47-68(5)6)127(220)175-94-54-106(203)156-41-21-27-82(165-130(223)91(51-77-58-188(155)65-161-77)173-126(219)87(46-67(3)4)170-121(214)81(164-132(94)225)26-18-20-40-147)122(215)178-95(50-76-31-33-78(199)34-32-76)143(236)190-44-24-30-102(190)138(231)168-83(28-22-42-157-145(153)154)125(218)186-113(73(14)196)141(234)177-93(53-105(151)202)133(226)185-112(72(13)195)139(232)160-56-108(205)163-96(59-191)119(212)159-57-109(206)183-115(75(16)198)144(237)189-43-23-29-101(189)116(152)209/h31-34,58,65-75,79-102,111-115,191-199,238-239H,17-30,35-57,59-64,146-148,155H2,1-16H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,209)(H,156,203)(H,158,211)(H,159,212)(H,160,232)(H,162,204)(H,163,205)(H,164,225)(H,165,223)(H,166,216)(H,167,227)(H,168,231)(H,169,213)(H,170,214)(H,171,217)(H,172,224)(H,173,219)(H,174,228)(H,175,220)(H,176,233)(H,177,234)(H,178,215)(H,179,210)(H,180,221)(H,181,222)(H,182,235)(H,183,206)(H,184,230)(H,185,226)(H,186,218)(H,187,229)(H,207,208)(H4,153,154,157)/t72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95?,96+,97+,98+,99+,100+,101-,102-,111+,112+,113+,114+,115+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.249 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Calcitonin receptor
(Rattus norvegicus) | BDBM50110268
(CHEMBL2369895 | CSNLSTCVLGKLSQELc[DKLQK]YPRTNTGSGT...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O Show InChI InChI=1S/C144H241N43O48S2/c1-65(2)47-85(174-139(231)110(70(11)12)182-136(228)98(64-237)180-141(233)113(73(15)194)185-135(227)97(62-191)179-129(221)89(51-69(9)10)171-130(222)90(53-103(150)199)172-134(226)95(60-189)177-116(208)77(147)63-236)117(209)157-56-106(202)160-78(25-17-19-41-145)119(211)168-88(50-68(7)8)128(220)178-96(61-190)133(225)166-83(36-39-102(149)198)123(215)164-84(37-40-109(205)206)124(216)170-87(49-67(5)6)127(219)173-92-55-105(201)155-43-21-27-80(162-122(214)82(35-38-101(148)197)165-126(218)86(48-66(3)4)169-120(212)79(163-131(92)223)26-18-20-42-146)121(213)176-93(52-75-31-33-76(196)34-32-75)142(234)187-46-24-30-100(187)137(229)167-81(28-22-44-156-144(153)154)125(217)184-112(72(14)193)140(232)175-91(54-104(151)200)132(224)183-111(71(13)192)138(230)159-57-107(203)161-94(59-188)118(210)158-58-108(204)181-114(74(16)195)143(235)186-45-23-29-99(186)115(152)207/h31-34,65-74,77-100,110-114,188-196,236-237H,17-30,35-64,145-147H2,1-16H3,(H2,148,197)(H2,149,198)(H2,150,199)(H2,151,200)(H2,152,207)(H,155,201)(H,157,209)(H,158,210)(H,159,230)(H,160,202)(H,161,203)(H,162,214)(H,163,223)(H,164,215)(H,165,218)(H,166,225)(H,167,229)(H,168,211)(H,169,212)(H,170,216)(H,171,222)(H,172,226)(H,173,219)(H,174,231)(H,175,232)(H,176,213)(H,177,208)(H,178,220)(H,179,221)(H,180,233)(H,181,204)(H,182,228)(H,183,224)(H,184,217)(H,185,227)(H,205,206)(H4,153,154,156)/t71-,72-,73-,74-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93?,94+,95+,96+,97+,98+,99-,100-,110+,111+,112+,113+,114+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.326 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Calcitonin receptor
(Rattus norvegicus) | BDBM50110272
(CHEMBL2369907 | CSNLSTCVLGKLSQELc[DKLHK]YPRTNTGSGT...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cn(N)cn2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C146H243N45O47S2/c1-67(2)46-87(177-141(234)112(72(11)12)185-138(231)101(65-240)183-143(236)115(75(15)198)188-137(230)100(63-195)182-130(223)91(50-71(9)10)173-132(225)93(53-105(151)202)175-136(229)98(61-193)180-118(211)80(149)64-239)119(212)159-56-108(205)163-81(26-17-20-40-147)121(214)170-90(49-70(7)8)129(222)181-99(62-194)135(228)168-85(36-38-104(150)201)124(217)167-86(37-39-111(208)209)125(218)172-89(48-69(5)6)128(221)176-95-55-107(204)157-42-22-19-28-83(165-131(224)92(52-78-59-189(156)66-162-78)174-127(220)88(47-68(3)4)171-122(215)82(166-133(95)226)27-18-21-41-148)123(216)179-96(51-77-32-34-79(200)35-33-77)144(237)191-45-25-31-103(191)139(232)169-84(29-23-43-158-146(154)155)126(219)187-114(74(14)197)142(235)178-94(54-106(152)203)134(227)186-113(73(13)196)140(233)161-57-109(206)164-97(60-192)120(213)160-58-110(207)184-116(76(16)199)145(238)190-44-24-30-102(190)117(153)210/h32-35,59,66-76,80-103,112-116,192-200,239-240H,17-31,36-58,60-65,147-149,156H2,1-16H3,(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,210)(H,157,204)(H,159,212)(H,160,213)(H,161,233)(H,163,205)(H,164,206)(H,165,224)(H,166,226)(H,167,217)(H,168,228)(H,169,232)(H,170,214)(H,171,215)(H,172,218)(H,173,225)(H,174,220)(H,175,229)(H,176,221)(H,177,234)(H,178,235)(H,179,216)(H,180,211)(H,181,222)(H,182,223)(H,183,236)(H,184,207)(H,185,231)(H,186,227)(H,187,219)(H,188,230)(H,208,209)(H4,154,155,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96?,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.377 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Calcitonin receptor
(Rattus norvegicus) | BDBM50110275
(CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide | CHEMBL2...)Show SMILES CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(Cc2cnc[nH]2)C(=O)NC(Cc2ccccc2)C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C152H229N39O43S2/c1-16-18-39-94(171-143(225)108(73-236)183-150(232)125(84(15)196)189-142(224)107(71-192)182-135(217)99(57-76(5)6)176-138(220)103(63-113(157)200)169-116(203)68-161-129(211)91(154)72-235)132(214)175-98(56-75(3)4)130(212)162-69-118(205)185-122(81(12)193)148(230)180-101(60-87-37-26-21-27-38-87)141(223)188-124(83(14)195)149(231)173-95(48-50-111(155)198)133(215)179-105(65-119(206)207)140(222)177-100(59-86-35-24-20-25-36-86)136(218)178-104-64-114(201)160-53-30-41-93(168-102(62-89-66-159-74-165-89)137(219)174-97(58-85-33-22-19-23-34-85)126(208)92(170-139(104)221)40-28-29-52-153)131(213)181-106(61-88-44-46-90(197)47-45-88)152(234)191-55-32-43-110(191)144(226)172-96(49-51-112(156)199)134(216)187-123(82(13)194)147(229)167-79(10)128(210)186-121(78(9)17-2)146(228)164-70-117(204)184-120(77(7)8)145(227)163-67-115(202)166-80(11)151(233)190-54-31-42-109(190)127(158)209/h19-27,33-38,44-47,66,74-84,91-110,120-125,168,192-197,235-236H,16-18,28-32,39-43,48-65,67-73,153-154H2,1-15H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,209)(H,159,165)(H,160,201)(H,161,211)(H,162,212)(H,163,227)(H,164,228)(H,166,202)(H,167,229)(H,169,203)(H,170,221)(H,171,225)(H,172,226)(H,173,231)(H,174,219)(H,175,214)(H,176,220)(H,177,222)(H,178,218)(H,179,215)(H,180,230)(H,181,213)(H,182,217)(H,183,232)(H,184,204)(H,185,205)(H,186,210)(H,187,216)(H,188,223)(H,189,224)(H,206,207)/t78-,79-,80-,81+,82+,83+,84+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.408 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313798
(US10167292, Example 42)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O Show InChI InChI=1S/C18H16ClN5O/c1-11-17-15-7-2-12(18(20)25)10-16(15)23(8-9-24(17)22-21-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H2,20,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313807
(US10167292, Example 51B)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1 Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313807
(US10167292, Example 51B)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1 Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM313791
(US10167292, Example 35)Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM313789
(US10167292, Example 33)Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Calcitonin receptor
(Rattus norvegicus) | BDBM50110273
(CGNLSTCMLGTYTQDFc[DKFHK]FPQTAIGVGAP-amide | CHEMBL...)Show SMILES CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C152H229N39O43S3/c1-16-78(8)121(146(228)164-70-117(204)184-120(77(6)7)145(227)163-67-115(202)166-80(10)151(233)190-53-30-40-109(190)127(158)209)186-128(210)79(9)167-147(229)123(82(12)194)187-134(216)95(47-49-112(156)199)172-144(226)110-41-31-54-191(110)152(234)106(61-87-36-24-19-25-37-87)181-131(213)93-39-27-29-52-160-114(201)64-104(139(221)170-92(38-26-28-51-153)126(208)97(58-85-32-20-17-21-33-85)174-137(219)102(168-93)62-89-66-159-74-165-89)178-136(218)100(59-86-34-22-18-23-35-86)177-140(222)105(65-119(206)207)179-132(214)94(46-48-111(155)198)173-149(231)124(83(13)195)188-141(223)101(60-88-42-44-90(197)45-43-88)180-148(230)122(81(11)193)185-118(205)69-162-130(212)98(56-75(2)3)175-133(215)96(50-55-237-15)171-143(225)108(73-236)183-150(232)125(84(14)196)189-142(224)107(71-192)182-135(217)99(57-76(4)5)176-138(220)103(63-113(157)200)169-116(203)68-161-129(211)91(154)72-235/h17-25,32-37,42-45,66,74-84,91-110,120-125,168,192-197,235-236H,16,26-31,38-41,46-65,67-73,153-154H2,1-15H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,209)(H,159,165)(H,160,201)(H,161,211)(H,162,212)(H,163,227)(H,164,228)(H,166,202)(H,167,229)(H,169,203)(H,170,221)(H,171,225)(H,172,226)(H,173,231)(H,174,219)(H,175,215)(H,176,220)(H,177,222)(H,178,218)(H,179,214)(H,180,230)(H,181,213)(H,182,217)(H,183,232)(H,184,204)(H,185,205)(H,186,210)(H,187,216)(H,188,223)(H,189,224)(H,206,207)/t78-,79-,80-,81+,82+,83+,84+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1 | Reactome pathway
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| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University
Curated by ChEMBL
| Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain |
J Med Chem 45: 1108-21 (2002)
BindingDB Entry DOI: 10.7270/Q2N015V5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313798
(US10167292, Example 42)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O Show InChI InChI=1S/C18H16ClN5O/c1-11-17-15-7-2-12(18(20)25)10-16(15)23(8-9-24(17)22-21-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H2,20,25) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313791
(US10167292, Example 35)Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1 | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313774
(US10167292, Example 8)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1 Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM313807
(US10167292, Example 51B)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1 Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313775
(US10167292, Example 10)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1 Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM313807
(US10167292, Example 51B)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1 Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313773
(US10167292, Example 7)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1 Show InChI InChI=1S/C23H20ClN5/c1-15-3-4-18(14-25-15)17-5-10-21-22(13-17)28(20-8-6-19(24)7-9-20)11-12-29-23(21)16(2)26-27-29/h3-10,13-14H,11-12H2,1-2H3 | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313797
(US10167292, Example 41)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C19H18ClN5O3S/c1-12-18-16-8-3-13(19(26)22-29(2,27)28)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313779
(US10167292, Example 16)Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r| Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1 | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM313774
(US10167292, Example 8)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1 Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM313773
(US10167292, Example 7)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1 Show InChI InChI=1S/C23H20ClN5/c1-15-3-4-18(14-25-15)17-5-10-21-22(13-17)28(20-8-6-19(24)7-9-20)11-12-29-23(21)16(2)26-27-29/h3-10,13-14H,11-12H2,1-2H3 | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313796
(US10167292, Example 40)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H20ClN5O3S/c1-16-23-21-12-7-17(24(31)27-34(32,33)20-5-3-2-4-6-20)15-22(21)29(13-14-30(23)28-26-16)19-10-8-18(25)9-11-19/h2-12,15H,13-14H2,1H3,(H,27,31) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313791
(US10167292, Example 35)Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1 | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313778
(US10167292, Example 13)Show SMILES C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r| Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m0/s1 | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM313775
(US10167292, Example 10)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1 Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24) | PDB
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Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313803
(US10167292, Example 47)Show InChI InChI=1S/C18H14ClN5/c1-12-18-16-7-2-13(11-20)10-17(16)23(8-9-24(18)22-21-12)15-5-3-14(19)4-6-15/h2-7,10H,8-9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM313779
(US10167292, Example 16)Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r| Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM313777
(US10167292, Example 12)Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1 Show InChI InChI=1S/C21H18ClN7/c1-13-20-18-7-2-14(15-11-24-21(23)25-12-15)10-19(18)28(8-9-29(20)27-26-13)17-5-3-16(22)4-6-17/h2-7,10-12H,8-9H2,1H3,(H2,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Walter and Eliza Hall Institute of Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla... |
ACS Med Chem Lett 8: 1298-1303 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2 |
More data for this
Ligand-Target Pair | |
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