Found 9004 hits with Last Name = 'mittapalli' and Initial = 'gk' 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 |
|---|
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50205093
(CHEMBL428017 | LRHYLNLLTRQRY-NH2)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:4.4,77.78,78.81,45.46,95.96,23.22,61.62,115.116,wD:33.33,12.11,84.85,53.54,104.105,69.70,(-3.89,-2.95,;-3.89,-4.49,;-2.56,-5.26,;-5.23,-5.26,;-5.23,-6.8,;-6.56,-7.57,;-7.9,-6.8,;-9.23,-7.57,;-7.9,-5.26,;-3.89,-7.57,;-3.89,-9.11,;-2.56,-6.79,;-1.23,-7.57,;-1.23,-9.11,;.11,-9.88,;.11,-11.42,;1.45,-12.18,;1.44,-13.72,;.1,-14.48,;2.77,-14.48,;.11,-6.8,;.11,-5.26,;1.45,-7.56,;2.78,-6.79,;2.78,-5.25,;4.13,-4.48,;5.53,-5.11,;6.56,-3.96,;5.79,-2.63,;4.28,-2.95,;4.13,-7.56,;4.13,-9.1,;5.45,-6.78,;6.79,-7.54,;6.79,-9.08,;8.12,-9.85,;9.45,-9.08,;10.78,-9.85,;10.78,-11.39,;12.11,-12.16,;9.45,-12.16,;8.12,-11.39,;8.12,-6.77,;8.12,-5.23,;9.45,-7.54,;10.79,-6.77,;10.79,-5.23,;12.13,-4.46,;12.13,-2.92,;13.47,-5.23,;12.13,-7.54,;12.13,-9.08,;13.46,-6.77,;14.79,-7.55,;14.79,-9.09,;16.13,-9.86,;17.46,-9.09,;16.13,-11.4,;16.13,-6.78,;16.13,-5.24,;17.47,-7.55,;18.8,-6.78,;18.8,-5.24,;20.14,-4.47,;20.14,-2.93,;21.47,-5.24,;20.14,-7.55,;20.14,-9.09,;21.47,-6.78,;22.81,-7.55,;22.8,-9.09,;24.14,-9.86,;24.13,-11.4,;25.48,-9.1,;24.15,-6.78,;24.15,-5.24,;25.48,-7.55,;26.82,-6.8,;26.82,-5.26,;25.49,-4.49,;28.14,-4.48,;28.16,-7.57,;28.16,-9.11,;29.49,-6.78,;30.82,-7.56,;30.82,-9.1,;32.16,-9.87,;32.16,-11.41,;33.49,-12.18,;33.52,-13.72,;32.16,-14.47,;34.83,-14.48,;32.16,-6.79,;32.16,-5.25,;33.49,-7.56,;34.84,-6.8,;34.84,-5.26,;36.18,-4.49,;36.18,-2.95,;34.83,-2.18,;37.5,-2.18,;36.18,-7.57,;36.18,-9.11,;37.51,-6.8,;38.84,-7.57,;38.84,-9.11,;40.18,-9.88,;40.18,-11.42,;41.51,-12.19,;41.52,-13.73,;40.18,-14.49,;42.85,-14.49,;40.18,-6.8,;40.18,-5.26,;41.51,-7.57,;42.84,-6.8,;42.84,-5.26,;44.19,-4.49,;45.51,-5.26,;46.85,-4.49,;46.85,-2.95,;48.19,-2.18,;45.51,-2.18,;44.19,-2.95,;44.19,-7.57,;45.51,-6.8,;44.19,-9.11,)| Show InChI InChI=1S/C81H131N27O19/c1-40(2)30-56(96-45(10)110)71(120)98-52(15-12-28-93-80(87)88)69(118)106-61(36-48-38-91-39-95-48)75(124)105-60(35-47-19-23-50(112)24-20-47)74(123)102-58(32-42(5)6)73(122)107-62(37-64(83)114)76(125)103-57(31-41(3)4)72(121)104-59(33-43(7)8)77(126)108-65(44(9)109)78(127)100-53(16-13-29-94-81(89)90)67(116)99-54(25-26-63(82)113)70(119)97-51(14-11-27-92-79(85)86)68(117)101-55(66(84)115)34-46-17-21-49(111)22-18-46/h17-24,38-44,51-62,65,109,111-112H,11-16,25-37H2,1-10H3,(H2,82,113)(H2,83,114)(H2,84,115)(H,91,95)(H,96,110)(H,97,119)(H,98,120)(H,99,116)(H,100,127)(H,101,117)(H,102,123)(H,103,125)(H,104,121)(H,105,124)(H,106,118)(H,107,122)(H,108,126)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445617
(CHEMBL3104112)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C182H293N43O59S/c1-108(2)93-133(164(252)204-127(22-16-50-199-181(191)192)159(247)218-140(101-119-104-195-107-201-119)169(257)217-139(100-118-31-39-123(233)40-32-118)167(255)212-135(95-110(5)6)166(254)220-142(103-148(185)236)171(259)213-136(96-111(7)8)172(260)223-151(112(9)10)175(263)224-152(114(12)229)176(264)209-128(23-17-51-200-182(193)194)156(244)206-129(41-44-146(183)234)160(248)203-125(20-14-48-197-179(187)188)157(245)210-132(153(186)241)97-115-25-33-120(230)34-26-115)214-173(261)143(105-227)221-154(242)113(11)202-163(251)137(98-116-27-35-121(231)36-28-116)216-168(256)138(99-117-29-37-122(232)38-30-117)215-158(246)126(21-15-49-198-180(189)190)205-170(258)141(102-147(184)235)219-165(253)134(94-109(3)4)211-162(250)130(42-45-149(237)238)207-161(249)131(43-46-150(239)240)208-174(262)145-24-18-52-225(145)178(265)144(106-228)222-155(243)124-19-13-47-196-177(124)285-92-91-284-90-89-283-88-87-282-86-85-281-84-83-280-82-81-279-80-79-278-78-77-277-76-75-276-74-73-275-72-71-274-70-69-273-68-67-272-66-65-271-64-63-270-62-61-269-60-59-268-58-57-267-56-55-266-54-53-226/h13,19,25-40,47,104,107-114,125-145,151-152,226-233H,14-18,20-24,41-46,48-103,105-106H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,236)(H2,186,241)(H,195,201)(H,202,251)(H,203,248)(H,204,252)(H,205,258)(H,206,244)(H,207,249)(H,208,262)(H,209,264)(H,210,245)(H,211,250)(H,212,255)(H,213,259)(H,214,261)(H,215,246)(H,216,256)(H,217,257)(H,218,247)(H,219,253)(H,220,254)(H,221,242)(H,222,243)(H,223,260)(H,224,263)(H,237,238)(H,239,240)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,151-,152-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445619
(CHEMBL3104224)Show SMILES CCC(=O)NCCNC(=O)CCCC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r| Show InChI InChI=1S/C59H73N13O9/c1-2-48(73)61-31-32-62-49(74)26-15-27-50(75)67-56(60)64-30-16-25-47(55(79)63-33-34-70-57(80)71(41-17-5-3-6-18-41)72(58(70)81)42-19-7-4-8-20-42)65-51(76)39-59(28-13-14-29-59)40-52(77)68-35-37-69(38-36-68)53-43-21-9-10-22-44(43)54(78)66-46-24-12-11-23-45(46)53/h3-12,17-24,47,53H,2,13-16,25-40H2,1H3,(H,61,73)(H,62,74)(H,63,79)(H,65,76)(H,66,78)(H3,60,64,67,75)/t47-,53?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) preincubated for 20 mins |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445618
(CHEMBL3104111)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:68.69,84.84,106.108,122.124,131.134,138.140,139.143,156.158,176.178,22.22,26.31,35.40,44.53,wD:73.73,94.95,107.110,114.116,130.132,145.147,165.167,(41.62,-23.36,;40.29,-22.59,;38.95,-23.36,;37.62,-22.59,;36.28,-23.36,;34.95,-22.59,;33.62,-23.36,;32.28,-22.59,;30.95,-23.36,;29.62,-22.59,;28.28,-23.36,;26.95,-22.59,;25.62,-23.36,;24.28,-22.59,;22.95,-23.36,;21.61,-22.59,;21.61,-21.05,;20.28,-23.36,;20.28,-24.9,;18.95,-25.67,;18.95,-27.21,;17.61,-27.98,;17.61,-29.52,;16.28,-30.29,;14.95,-29.52,;14.95,-27.98,;13.61,-30.29,;12.28,-29.52,;10.94,-30.29,;9.61,-29.52,;8.28,-30.29,;6.94,-29.52,;13.61,-31.83,;14.95,-32.6,;16.28,-31.83,;14.95,-34.14,;13.61,-34.91,;13.61,-36.45,;12.28,-37.22,;12.28,-38.76,;10.94,-39.53,;16.28,-34.91,;17.61,-34.14,;17.61,-32.6,;18.95,-34.91,;18.95,-36.45,;17.61,-37.22,;16.29,-36.45,;14.95,-37.22,;14.95,-38.76,;13.62,-39.53,;16.3,-39.53,;17.62,-38.76,;20.28,-34.14,;21.61,-34.91,;22.95,-34.14,;21.61,-36.45,;18.95,-30.29,;18.95,-31.83,;20.28,-29.52,;21.61,-30.29,;22.95,-29.52,;24.28,-30.29,;25.62,-29.52,;26.95,-30.29,;28.28,-29.52,;28.28,-27.98,;29.62,-30.29,;30.95,-29.52,;30.95,-27.98,;32.28,-30.29,;32.28,-31.83,;33.62,-29.52,;34.95,-30.29,;34.95,-31.83,;36.28,-32.6,;36.28,-34.14,;37.62,-34.91,;37.62,-36.45,;36.28,-37.22,;38.95,-37.22,;36.28,-29.52,;36.28,-27.98,;37.62,-30.29,;38.95,-29.52,;38.95,-27.98,;40.29,-27.21,;41.7,-27.84,;42.72,-26.69,;41.96,-25.36,;40.45,-25.68,;40.29,-30.29,;40.29,-31.83,;41.62,-29.52,;42.95,-30.29,;42.95,-31.83,;44.29,-32.6,;45.61,-31.83,;46.96,-32.6,;46.95,-34.14,;48.29,-34.91,;45.61,-34.91,;44.29,-34.14,;44.29,-29.52,;44.29,-27.98,;45.62,-30.29,;46.95,-29.52,;46.95,-27.98,;48.29,-27.21,;45.62,-27.21,;45.62,-25.67,;48.29,-30.29,;48.29,-31.83,;49.62,-29.52,;50.95,-30.29,;50.95,-31.83,;52.29,-32.6,;53.62,-31.83,;52.29,-34.14,;52.29,-29.52,;52.29,-27.98,;53.62,-30.29,;54.96,-29.52,;54.96,-27.98,;56.29,-27.21,;56.29,-25.67,;57.62,-27.98,;56.29,-30.29,;56.29,-31.83,;57.62,-29.52,;58.96,-30.29,;58.96,-31.83,;60.29,-32.6,;57.62,-32.6,;57.62,-34.14,;60.29,-29.52,;60.29,-27.98,;61.62,-30.29,;62.96,-29.52,;62.96,-27.98,;61.62,-27.21,;64.29,-27.21,;64.29,-30.29,;64.29,-31.83,;65.63,-29.52,;66.96,-30.29,;66.96,-31.83,;68.29,-32.6,;68.29,-34.14,;69.63,-34.91,;69.63,-36.45,;68.29,-37.22,;70.96,-37.22,;68.29,-29.52,;68.29,-27.98,;69.63,-30.29,;70.96,-29.52,;70.96,-27.98,;72.29,-27.21,;72.29,-25.67,;70.96,-24.9,;73.63,-24.9,;72.29,-30.29,;72.29,-31.83,;73.63,-29.52,;74.96,-30.29,;74.96,-31.83,;76.29,-32.6,;76.29,-34.14,;77.63,-34.91,;77.63,-36.45,;76.29,-37.22,;78.96,-37.22,;76.29,-29.52,;76.29,-27.98,;77.63,-30.29,;78.96,-29.52,;78.96,-27.98,;80.3,-27.21,;81.63,-27.98,;82.96,-27.21,;82.96,-25.67,;84.3,-24.9,;81.63,-24.9,;80.3,-25.67,;80.3,-30.29,;81.63,-29.52,;80.3,-31.83,)| Show InChI InChI=1S/C127H211N35O26/c1-11-14-15-16-17-18-19-20-21-22-23-24-26-44-103(170)140-62-34-30-40-88(149-111(175)89(38-28-31-60-128)150-112(176)90(39-29-32-61-129)152-117(181)97(147-80(10)164)69-82-48-54-86(166)55-49-82)110(174)141-63-33-25-27-45-104(171)146-78(8)109(173)148-91(41-35-64-142-125(133)134)115(179)158-99(71-84-73-139-74-145-84)118(182)157-98(70-83-50-56-87(167)57-51-83)121(185)160-105(76(6)12-2)122(186)159-100(72-102(131)169)119(183)156-96(67-75(4)5)120(184)161-106(77(7)13-3)123(187)162-107(79(9)163)124(188)154-93(43-37-66-144-127(137)138)113(177)153-94(58-59-101(130)168)116(180)151-92(42-36-65-143-126(135)136)114(178)155-95(108(132)172)68-81-46-52-85(165)53-47-81/h46-57,73-79,88-100,105-107,163,165-167H,11-45,58-72,128-129H2,1-10H3,(H2,130,168)(H2,131,169)(H2,132,172)(H,139,145)(H,140,170)(H,141,174)(H,146,171)(H,147,164)(H,148,173)(H,149,175)(H,150,176)(H,151,180)(H,152,181)(H,153,177)(H,154,188)(H,155,178)(H,156,183)(H,157,182)(H,158,179)(H,159,186)(H,160,185)(H,161,184)(H,162,187)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)/t76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50205093
(CHEMBL428017 | LRHYLNLLTRQRY-NH2)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:4.4,77.78,78.81,45.46,95.96,23.22,61.62,115.116,wD:33.33,12.11,84.85,53.54,104.105,69.70,(-3.89,-2.95,;-3.89,-4.49,;-2.56,-5.26,;-5.23,-5.26,;-5.23,-6.8,;-6.56,-7.57,;-7.9,-6.8,;-9.23,-7.57,;-7.9,-5.26,;-3.89,-7.57,;-3.89,-9.11,;-2.56,-6.79,;-1.23,-7.57,;-1.23,-9.11,;.11,-9.88,;.11,-11.42,;1.45,-12.18,;1.44,-13.72,;.1,-14.48,;2.77,-14.48,;.11,-6.8,;.11,-5.26,;1.45,-7.56,;2.78,-6.79,;2.78,-5.25,;4.13,-4.48,;5.53,-5.11,;6.56,-3.96,;5.79,-2.63,;4.28,-2.95,;4.13,-7.56,;4.13,-9.1,;5.45,-6.78,;6.79,-7.54,;6.79,-9.08,;8.12,-9.85,;9.45,-9.08,;10.78,-9.85,;10.78,-11.39,;12.11,-12.16,;9.45,-12.16,;8.12,-11.39,;8.12,-6.77,;8.12,-5.23,;9.45,-7.54,;10.79,-6.77,;10.79,-5.23,;12.13,-4.46,;12.13,-2.92,;13.47,-5.23,;12.13,-7.54,;12.13,-9.08,;13.46,-6.77,;14.79,-7.55,;14.79,-9.09,;16.13,-9.86,;17.46,-9.09,;16.13,-11.4,;16.13,-6.78,;16.13,-5.24,;17.47,-7.55,;18.8,-6.78,;18.8,-5.24,;20.14,-4.47,;20.14,-2.93,;21.47,-5.24,;20.14,-7.55,;20.14,-9.09,;21.47,-6.78,;22.81,-7.55,;22.8,-9.09,;24.14,-9.86,;24.13,-11.4,;25.48,-9.1,;24.15,-6.78,;24.15,-5.24,;25.48,-7.55,;26.82,-6.8,;26.82,-5.26,;25.49,-4.49,;28.14,-4.48,;28.16,-7.57,;28.16,-9.11,;29.49,-6.78,;30.82,-7.56,;30.82,-9.1,;32.16,-9.87,;32.16,-11.41,;33.49,-12.18,;33.52,-13.72,;32.16,-14.47,;34.83,-14.48,;32.16,-6.79,;32.16,-5.25,;33.49,-7.56,;34.84,-6.8,;34.84,-5.26,;36.18,-4.49,;36.18,-2.95,;34.83,-2.18,;37.5,-2.18,;36.18,-7.57,;36.18,-9.11,;37.51,-6.8,;38.84,-7.57,;38.84,-9.11,;40.18,-9.88,;40.18,-11.42,;41.51,-12.19,;41.52,-13.73,;40.18,-14.49,;42.85,-14.49,;40.18,-6.8,;40.18,-5.26,;41.51,-7.57,;42.84,-6.8,;42.84,-5.26,;44.19,-4.49,;45.51,-5.26,;46.85,-4.49,;46.85,-2.95,;48.19,-2.18,;45.51,-2.18,;44.19,-2.95,;44.19,-7.57,;45.51,-6.8,;44.19,-9.11,)| Show InChI InChI=1S/C81H131N27O19/c1-40(2)30-56(96-45(10)110)71(120)98-52(15-12-28-93-80(87)88)69(118)106-61(36-48-38-91-39-95-48)75(124)105-60(35-47-19-23-50(112)24-20-47)74(123)102-58(32-42(5)6)73(122)107-62(37-64(83)114)76(125)103-57(31-41(3)4)72(121)104-59(33-43(7)8)77(126)108-65(44(9)109)78(127)100-53(16-13-29-94-81(89)90)67(116)99-54(25-26-63(82)113)70(119)97-51(14-11-27-92-79(85)86)68(117)101-55(66(84)115)34-46-17-21-49(111)22-18-46/h17-24,38-44,51-62,65,109,111-112H,11-16,25-37H2,1-10H3,(H2,82,113)(H2,83,114)(H2,84,115)(H,91,95)(H,96,110)(H,97,119)(H,98,120)(H,99,116)(H,100,127)(H,101,117)(H,102,123)(H,103,125)(H,104,121)(H,105,124)(H,106,118)(H,107,122)(H,108,126)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY1 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50445617
(CHEMBL3104112)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C182H293N43O59S/c1-108(2)93-133(164(252)204-127(22-16-50-199-181(191)192)159(247)218-140(101-119-104-195-107-201-119)169(257)217-139(100-118-31-39-123(233)40-32-118)167(255)212-135(95-110(5)6)166(254)220-142(103-148(185)236)171(259)213-136(96-111(7)8)172(260)223-151(112(9)10)175(263)224-152(114(12)229)176(264)209-128(23-17-51-200-182(193)194)156(244)206-129(41-44-146(183)234)160(248)203-125(20-14-48-197-179(187)188)157(245)210-132(153(186)241)97-115-25-33-120(230)34-26-115)214-173(261)143(105-227)221-154(242)113(11)202-163(251)137(98-116-27-35-121(231)36-28-116)216-168(256)138(99-117-29-37-122(232)38-30-117)215-158(246)126(21-15-49-198-180(189)190)205-170(258)141(102-147(184)235)219-165(253)134(94-109(3)4)211-162(250)130(42-45-149(237)238)207-161(249)131(43-46-150(239)240)208-174(262)145-24-18-52-225(145)178(265)144(106-228)222-155(243)124-19-13-47-196-177(124)285-92-91-284-90-89-283-88-87-282-86-85-281-84-83-280-82-81-279-80-79-278-78-77-277-76-75-276-74-73-275-72-71-274-70-69-273-68-67-272-66-65-271-64-63-270-62-61-269-60-59-268-58-57-267-56-55-266-54-53-226/h13,19,25-40,47,104,107-114,125-145,151-152,226-233H,14-18,20-24,41-46,48-103,105-106H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,236)(H2,186,241)(H,195,201)(H,202,251)(H,203,248)(H,204,252)(H,205,258)(H,206,244)(H,207,249)(H,208,262)(H,209,264)(H,210,245)(H,211,250)(H,212,255)(H,213,259)(H,214,261)(H,215,246)(H,216,256)(H,217,257)(H,218,247)(H,219,253)(H,220,254)(H,221,242)(H,222,243)(H,223,260)(H,224,263)(H,237,238)(H,239,240)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,151-,152-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY5 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50445617
(CHEMBL3104112)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C182H293N43O59S/c1-108(2)93-133(164(252)204-127(22-16-50-199-181(191)192)159(247)218-140(101-119-104-195-107-201-119)169(257)217-139(100-118-31-39-123(233)40-32-118)167(255)212-135(95-110(5)6)166(254)220-142(103-148(185)236)171(259)213-136(96-111(7)8)172(260)223-151(112(9)10)175(263)224-152(114(12)229)176(264)209-128(23-17-51-200-182(193)194)156(244)206-129(41-44-146(183)234)160(248)203-125(20-14-48-197-179(187)188)157(245)210-132(153(186)241)97-115-25-33-120(230)34-26-115)214-173(261)143(105-227)221-154(242)113(11)202-163(251)137(98-116-27-35-121(231)36-28-116)216-168(256)138(99-117-29-37-122(232)38-30-117)215-158(246)126(21-15-49-198-180(189)190)205-170(258)141(102-147(184)235)219-165(253)134(94-109(3)4)211-162(250)130(42-45-149(237)238)207-161(249)131(43-46-150(239)240)208-174(262)145-24-18-52-225(145)178(265)144(106-228)222-155(243)124-19-13-47-196-177(124)285-92-91-284-90-89-283-88-87-282-86-85-281-84-83-280-82-81-279-80-79-278-78-77-277-76-75-276-74-73-275-72-71-274-70-69-273-68-67-272-66-65-271-64-63-270-62-61-269-60-59-268-58-57-267-56-55-266-54-53-226/h13,19,25-40,47,104,107-114,125-145,151-152,226-233H,14-18,20-24,41-46,48-103,105-106H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,236)(H2,186,241)(H,195,201)(H,202,251)(H,203,248)(H,204,252)(H,205,258)(H,206,244)(H,207,249)(H,208,262)(H,209,264)(H,210,245)(H,211,250)(H,212,255)(H,213,259)(H,214,261)(H,215,246)(H,216,256)(H,217,257)(H,218,247)(H,219,253)(H,220,254)(H,221,242)(H,222,243)(H,223,260)(H,224,263)(H,237,238)(H,239,240)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,151-,152-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY1 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50205093
(CHEMBL428017 | LRHYLNLLTRQRY-NH2)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:4.4,77.78,78.81,45.46,95.96,23.22,61.62,115.116,wD:33.33,12.11,84.85,53.54,104.105,69.70,(-3.89,-2.95,;-3.89,-4.49,;-2.56,-5.26,;-5.23,-5.26,;-5.23,-6.8,;-6.56,-7.57,;-7.9,-6.8,;-9.23,-7.57,;-7.9,-5.26,;-3.89,-7.57,;-3.89,-9.11,;-2.56,-6.79,;-1.23,-7.57,;-1.23,-9.11,;.11,-9.88,;.11,-11.42,;1.45,-12.18,;1.44,-13.72,;.1,-14.48,;2.77,-14.48,;.11,-6.8,;.11,-5.26,;1.45,-7.56,;2.78,-6.79,;2.78,-5.25,;4.13,-4.48,;5.53,-5.11,;6.56,-3.96,;5.79,-2.63,;4.28,-2.95,;4.13,-7.56,;4.13,-9.1,;5.45,-6.78,;6.79,-7.54,;6.79,-9.08,;8.12,-9.85,;9.45,-9.08,;10.78,-9.85,;10.78,-11.39,;12.11,-12.16,;9.45,-12.16,;8.12,-11.39,;8.12,-6.77,;8.12,-5.23,;9.45,-7.54,;10.79,-6.77,;10.79,-5.23,;12.13,-4.46,;12.13,-2.92,;13.47,-5.23,;12.13,-7.54,;12.13,-9.08,;13.46,-6.77,;14.79,-7.55,;14.79,-9.09,;16.13,-9.86,;17.46,-9.09,;16.13,-11.4,;16.13,-6.78,;16.13,-5.24,;17.47,-7.55,;18.8,-6.78,;18.8,-5.24,;20.14,-4.47,;20.14,-2.93,;21.47,-5.24,;20.14,-7.55,;20.14,-9.09,;21.47,-6.78,;22.81,-7.55,;22.8,-9.09,;24.14,-9.86,;24.13,-11.4,;25.48,-9.1,;24.15,-6.78,;24.15,-5.24,;25.48,-7.55,;26.82,-6.8,;26.82,-5.26,;25.49,-4.49,;28.14,-4.48,;28.16,-7.57,;28.16,-9.11,;29.49,-6.78,;30.82,-7.56,;30.82,-9.1,;32.16,-9.87,;32.16,-11.41,;33.49,-12.18,;33.52,-13.72,;32.16,-14.47,;34.83,-14.48,;32.16,-6.79,;32.16,-5.25,;33.49,-7.56,;34.84,-6.8,;34.84,-5.26,;36.18,-4.49,;36.18,-2.95,;34.83,-2.18,;37.5,-2.18,;36.18,-7.57,;36.18,-9.11,;37.51,-6.8,;38.84,-7.57,;38.84,-9.11,;40.18,-9.88,;40.18,-11.42,;41.51,-12.19,;41.52,-13.73,;40.18,-14.49,;42.85,-14.49,;40.18,-6.8,;40.18,-5.26,;41.51,-7.57,;42.84,-6.8,;42.84,-5.26,;44.19,-4.49,;45.51,-5.26,;46.85,-4.49,;46.85,-2.95,;48.19,-2.18,;45.51,-2.18,;44.19,-2.95,;44.19,-7.57,;45.51,-6.8,;44.19,-9.11,)| Show InChI InChI=1S/C81H131N27O19/c1-40(2)30-56(96-45(10)110)71(120)98-52(15-12-28-93-80(87)88)69(118)106-61(36-48-38-91-39-95-48)75(124)105-60(35-47-19-23-50(112)24-20-47)74(123)102-58(32-42(5)6)73(122)107-62(37-64(83)114)76(125)103-57(31-41(3)4)72(121)104-59(33-43(7)8)77(126)108-65(44(9)109)78(127)100-53(16-13-29-94-81(89)90)67(116)99-54(25-26-63(82)113)70(119)97-51(14-11-27-92-79(85)86)68(117)101-55(66(84)115)34-46-17-21-49(111)22-18-46/h17-24,38-44,51-62,65,109,111-112H,11-16,25-37H2,1-10H3,(H2,82,113)(H2,83,114)(H2,84,115)(H,91,95)(H,96,110)(H,97,119)(H,98,120)(H,99,116)(H,100,127)(H,101,117)(H,102,123)(H,103,125)(H,104,121)(H,105,124)(H,106,118)(H,107,122)(H,108,126)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+/m1/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY5 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397879
(CHEMBL2179493)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)[N+]([O-])=O)n1 Show InChI InChI=1S/C23H28N4O3/c1-3-16-14-17(4-2)25-23(24-16)30-13-7-12-26-21-9-6-5-8-19(21)20-15-18(27(28)29)10-11-22(20)26/h10-11,14-15H,3-9,12-13H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397872
(CHEMBL2179499)Show SMILES Cc1noc(n1)-c1ccc2n(CCCOc3nc(C)cc(C)n3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H27N5O2/c1-15-13-16(2)26-24(25-15)30-12-6-11-29-21-8-5-4-7-19(21)20-14-18(9-10-22(20)29)23-27-17(3)28-31-23/h9-10,13-14H,4-8,11-12H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397861
(CHEMBL2179511)Show SMILES Cc1noc(n1)-c1ccc2n(CCCSc3ccc(F)c(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3OS/c1-15-27-24(30-28-15)16-7-10-23-19(13-16)18-5-2-3-6-22(18)29(23)11-4-12-31-17-8-9-20(25)21(26)14-17/h7-10,13-14H,2-6,11-12H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397852
(CHEMBL2179510)Show SMILES Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3OS/c1-15-27-24(30-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-31-19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397852
(CHEMBL2179510)Show SMILES Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3OS/c1-15-27-24(30-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-31-19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 1a entry into human HuH7.5 cells by immunoblotting |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397855
(CHEMBL2179485)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCCC(=O)c3c3cc(ccc23)-c2nc(C)no2)n1 Show InChI InChI=1S/C26H29N5O3/c1-4-18-15-19(5-2)29-26(28-18)33-13-7-12-31-21-11-10-17(25-27-16(3)30-34-25)14-20(21)24-22(31)8-6-9-23(24)32/h10-11,14-15H,4-9,12-13H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397857
(CHEMBL2179515)Show SMILES Cc1noc(n1)-c1ccc2n(CC(F)COc3cc(F)cc(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H22F3N3O2/c1-14-28-24(32-29-14)15-6-7-23-21(8-15)20-4-2-3-5-22(20)30(23)12-18(27)13-31-19-10-16(25)9-17(26)11-19/h6-11,18H,2-5,12-13H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397858
(CHEMBL2179514)Show SMILES Cc1noc(n1)-c1ccc2n(CCCc3nc4ccc(F)cc4[nH]3)c3CCCCc3c2c1 Show InChI InChI=1S/C25H24FN5O/c1-15-27-25(32-30-15)16-8-11-23-19(13-16)18-5-2-3-6-22(18)31(23)12-4-7-24-28-20-10-9-17(26)14-21(20)29-24/h8-11,13-14H,2-7,12H2,1H3,(H,28,29) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397862
(CHEMBL2179509)Show SMILES Cc1noc(n1)-c1ccc2n(CCCOc3ccc(F)c(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3O2/c1-15-27-24(31-28-15)16-7-10-23-19(13-16)18-5-2-3-6-22(18)29(23)11-4-12-30-17-8-9-20(25)21(26)14-17/h7-10,13-14H,2-6,11-12H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397863
(CHEMBL2179508)Show SMILES Cc1noc(n1)-c1ccc2n(CCCOc3cc(F)cc(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3O2/c1-15-27-24(31-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-30-19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397864
(CHEMBL2179507)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-n2cnnn2)n1 Show InChI InChI=1S/C24H29N7O/c1-3-17-14-18(4-2)27-24(26-17)32-13-7-12-30-22-9-6-5-8-20(22)21-15-19(10-11-23(21)30)31-16-25-28-29-31/h10-11,14-16H,3-9,12-13H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397867
(CHEMBL2179504)Show SMILES Cc1cc(C)nc(OCCCn2c3CCCCc3c3cc(ccc23)-c2ncco2)n1 Show InChI InChI=1S/C24H26N4O2/c1-16-14-17(2)27-24(26-16)30-12-5-11-28-21-7-4-3-6-19(21)20-15-18(8-9-22(20)28)23-25-10-13-29-23/h8-10,13-15H,3-7,11-12H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397869
(CHEMBL2179502)Show SMILES CN(C)S(=O)(=O)CCCn1c2CCCCc2c2cc(ccc12)-c1nc(C)no1 Show InChI InChI=1S/C20H26N4O3S/c1-14-21-20(27-22-14)15-9-10-19-17(13-15)16-7-4-5-8-18(16)24(19)11-6-12-28(25,26)23(2)3/h9-10,13H,4-8,11-12H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397870
(CHEMBL2179501)Show SMILES Cc1noc(n1)-c1ccc2n(CCCOc3nc(C)cc(n3)C(F)(F)F)c3CCCCc3c2c1 Show InChI InChI=1S/C24H24F3N5O2/c1-14-12-21(24(25,26)27)30-23(28-14)33-11-5-10-32-19-7-4-3-6-17(19)18-13-16(8-9-20(18)32)22-29-15(2)31-34-22/h8-9,12-13H,3-7,10-11H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397871
(CHEMBL2179500)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-c2nc(C)no2)n1 Show InChI InChI=1S/C26H31N5O2/c1-4-19-16-20(5-2)29-26(28-19)32-14-8-13-31-23-10-7-6-9-21(23)22-15-18(11-12-24(22)31)25-27-17(3)30-33-25/h11-12,15-16H,4-10,13-14H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397885
(CHEMBL1914885)Show SMILES COC(=O)c1ccc2n(CCCOc3nc(C)cc(C)n3)c3CCCCc3c2c1 Show InChI InChI=1S/C23H27N3O3/c1-15-13-16(2)25-23(24-15)29-12-6-11-26-20-8-5-4-7-18(20)19-14-17(22(27)28-3)9-10-21(19)26/h9-10,13-14H,4-8,11-12H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene Wnt-1
(Homo sapiens (human)) | BDBM445829
(US10669240, Compound 1141)Show SMILES CC1CN(CC(C)O1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Samumed, LLC
US Patent
| Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W... |
US Patent US10669240 (2020)
BindingDB Entry DOI: 10.7270/Q2HQ42ZD |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50423655
(CHEMBL2307889)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]C1([#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-c3ccccc3-[#7]-[#6](=O)-c3ccccc-23)[#6]-[#6]-[#6]-[#6]1)-[#6](=O)-[#7]-[#6]-[#6]-n1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r| Show InChI InChI=1S/C49H57N11O6/c50-46(51)53-25-13-22-40(45(64)52-26-27-58-47(65)59(34-14-3-1-4-15-34)60(48(58)66)35-16-5-2-6-17-35)54-41(61)32-49(23-11-12-24-49)33-42(62)56-28-30-57(31-29-56)43-36-18-7-8-19-37(36)44(63)55-39-21-10-9-20-38(39)43/h1-10,14-21,40,43H,11-13,22-33H2,(H,52,64)(H,54,61)(H,55,63)(H4,50,51,53)/t40-,43?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NPY from NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Proto-oncogene Wnt-1
(Homo sapiens (human)) | BDBM445759
(US10669240, Compound 55)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1 Show InChI InChI=1S/C28H30F2N8O/c1-36-8-10-38(11-9-36)25-5-3-22(16-32-25)33-27(39)26-23-13-20(2-4-24(23)34-35-26)21-12-19(14-31-15-21)17-37-7-6-28(29,30)18-37/h2-5,12-16H,6-11,17-18H2,1H3,(H,33,39)(H,34,35) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Samumed, LLC
US Patent
| Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W... |
US Patent US10669240 (2020)
BindingDB Entry DOI: 10.7270/Q2HQ42ZD |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397856
(CHEMBL2179106)Show SMILES Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCC(=O)c3c2c1 Show InChI InChI=1S/C24H21F2N3O2S/c1-14-27-24(31-28-14)15-6-7-20-19(10-15)23-21(4-2-5-22(23)30)29(20)8-3-9-32-18-12-16(25)11-17(26)13-18/h6-7,10-13H,2-5,8-9H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397874
(CHEMBL2179497)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-c2noc(C)n2)n1 Show InChI InChI=1S/C26H31N5O2/c1-4-19-16-20(5-2)29-26(28-19)32-14-8-13-31-23-10-7-6-9-21(23)22-15-18(11-12-24(22)31)25-27-17(3)33-30-25/h11-12,15-16H,4-10,13-14H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene Wnt-1
(Homo sapiens (human)) | BDBM445758
(US10669240, Compound 54)Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCC(F)(F)C3)c2)cn1 Show InChI InChI=1S/C24H22F2N6O2/c1-34-21-5-3-18(12-28-21)29-23(33)22-19-9-16(2-4-20(19)30-31-22)17-8-15(10-27-11-17)13-32-7-6-24(25,26)14-32/h2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Samumed, LLC
US Patent
| Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W... |
US Patent US10669240 (2020)
BindingDB Entry DOI: 10.7270/Q2HQ42ZD |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397860
(CHEMBL2179512)Show SMILES Cc1noc(n1)-c1ccc2n(CCCS(=O)(=O)c3cc(F)cc(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3O3S/c1-15-27-24(32-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-33(30,31)19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50352371
(CHEMBL1823342)Show SMILES CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1 Show InChI InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NPY from NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proto-oncogene Wnt-1
(Homo sapiens (human)) | BDBM445786
(US10669240, Compound 82)Show SMILES CC1CCN(Cc2cncc(c2)-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)CC1 Show InChI InChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Samumed, LLC
US Patent
| Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W... |
US Patent US10669240 (2020)
BindingDB Entry DOI: 10.7270/Q2HQ42ZD |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445648
(CHEMBL3104181)Show SMILES CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2ncco2)c2cccc(F)c2)c(c1)C#N Show InChI InChI=1S/C27H30FN5O2/c1-3-19(4-2)26(34)31-23-8-9-24(21(17-23)18-29)32-11-13-33(14-12-32)25(27-30-10-15-35-27)20-6-5-7-22(28)16-20/h5-10,15-17,19,25H,3-4,11-14H2,1-2H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Proto-oncogene Wnt-1
(Homo sapiens (human)) | BDBM445831
(US10669240, Compound 1153)Show SMILES Fc1cc2[nH]nc(C(=O)Nc3cccnc3)c2cc1-c1cncc(CN2CCCCC2)c1 Show InChI InChI=1S/C24H23FN6O/c25-21-11-22-20(23(30-29-22)24(32)28-18-5-4-6-26-14-18)10-19(21)17-9-16(12-27-13-17)15-31-7-2-1-3-8-31/h4-6,9-14H,1-3,7-8,15H2,(H,28,32)(H,29,30) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Samumed, LLC
US Patent
| Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W... |
US Patent US10669240 (2020)
BindingDB Entry DOI: 10.7270/Q2HQ42ZD |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397884
(CHEMBL2179488)Show SMILES COc1cc(OC)nc(NCCCn2c3CCCCc3c3cc(ccc23)S(C)(=O)=O)n1 Show InChI InChI=1S/C22H28N4O4S/c1-29-20-14-21(30-2)25-22(24-20)23-11-6-12-26-18-8-5-4-7-16(18)17-13-15(31(3,27)28)9-10-19(17)26/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,23,24,25) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445649
(CHEMBL3104180)Show SMILES CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1C#N)-c1nc(no1)C(C)C)c1ccccc1 Show InChI InChI=1S/C28H34N6O2/c1-5-32(6-2)28(35)25(21-10-8-7-9-11-21)34-16-14-33(15-17-34)24-13-12-22(18-23(24)19-29)27-30-26(20(3)4)31-36-27/h7-13,18,20,25H,5-6,14-17H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50384235
(CHEMBL2030189)Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H34N2O5S/c1-3-31(4-2)37(34,35)27-17-15-26(16-18-27)36-28(32)30-21-19-25(20-22-30)29(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25,33H,3-4,19-22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at neuropeptide Y receptor Y2 |
Bioorg Med Chem Lett 22: 3916-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.107
BindingDB Entry DOI: 10.7270/Q2WH2R15 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445637
(CHEMBL3104200)Show SMILES CCC(CC)C(=O)Nc1ccc(N2CCC(CC2)C(C(=O)N(CC)CC)c2ccccc2)c(F)c1 Show InChI InChI=1S/C29H40FN3O2/c1-5-21(6-2)28(34)31-24-14-15-26(25(30)20-24)33-18-16-23(17-19-33)27(22-12-10-9-11-13-22)29(35)32(7-3)8-4/h9-15,20-21,23,27H,5-8,16-19H2,1-4H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445635
(CHEMBL3104202)Show SMILES CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)Cc2c(C)noc2C)cc1F)c1ccccc1 Show InChI InChI=1S/C30H37FN4O3/c1-5-34(6-2)30(37)29(22-10-8-7-9-11-22)23-14-16-35(17-15-23)27-13-12-24(18-26(27)31)32-28(36)19-25-20(3)33-38-21(25)4/h7-13,18,23,29H,5-6,14-17,19H2,1-4H3,(H,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397877
(CHEMBL2177128)Show InChI InChI=1S/C22H24N4O/c1-15-12-16(2)25-22(24-15)27-11-5-10-26-20-7-4-3-6-18(20)19-13-17(14-23)8-9-21(19)26/h8-9,12-13H,3-7,10-11H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397878
(CHEMBL2179494)Show SMILES COc1cc(OC)nc(NCCCn2c3CCCCc3c3cc(ccc23)C#N)n1 Show InChI InChI=1S/C22H25N5O2/c1-28-20-13-21(29-2)26-22(25-20)24-10-5-11-27-18-7-4-3-6-16(18)17-12-15(14-23)8-9-19(17)27/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,24,25,26) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397853
(CHEMBL2179487)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCC(F)(F)Cc3c3cc(ccc23)-c2nc(C)no2)n1 Show InChI InChI=1S/C26H29F2N5O2/c1-4-18-14-19(5-2)31-25(30-18)34-12-6-11-33-22-8-7-17(24-29-16(3)32-35-24)13-20(22)21-15-26(27,28)10-9-23(21)33/h7-8,13-14H,4-6,9-12,15H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397873
(CHEMBL2179498)Show SMILES CCc1cc(CC)nc(OCCCn2c3CCCCc3c3cc(ccc23)-c2nnc(C)o2)n1 Show InChI InChI=1S/C26H31N5O2/c1-4-19-16-20(5-2)28-26(27-19)32-14-8-13-31-23-10-7-6-9-21(23)22-15-18(11-12-24(22)31)25-30-29-17(3)33-25/h11-12,15-16H,4-10,13-14H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397859
(CHEMBL2179513)Show SMILES Cc1noc(n1)-c1ccc2n(CCCS(=O)c3cc(F)cc(F)c3)c3CCCCc3c2c1 Show InChI InChI=1S/C24H23F2N3O2S/c1-15-27-24(31-28-15)16-7-8-23-21(11-16)20-5-2-3-6-22(20)29(23)9-4-10-32(30)19-13-17(25)12-18(26)14-19/h7-8,11-14H,2-6,9-10H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397865
(CHEMBL2179506)Show SMILES CCCc1cn(nn1)-c1ccc2n(CCCOc3nc(CC)cc(CC)n3)c3CCCCc3c2c1 Show InChI InChI=1S/C28H36N6O/c1-4-10-22-19-34(32-31-22)23-13-14-27-25(18-23)24-11-7-8-12-26(24)33(27)15-9-16-35-28-29-20(5-2)17-21(6-3)30-28/h13-14,17-19H,4-12,15-16H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Scavenger receptor class B member 1
(Homo sapiens (Human)) | BDBM50397854
(CHEMBL2179486)Show SMILES Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCC(F)(F)Cc3c2c1 Show InChI InChI=1S/C24H21F4N3OS/c1-14-29-23(32-30-14)15-3-4-21-19(9-15)20-13-24(27,28)6-5-22(20)31(21)7-2-8-33-18-11-16(25)10-17(26)12-18/h3-4,9-12H,2,5-8,13H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
iTherX Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 22: 4955-61 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.038
BindingDB Entry DOI: 10.7270/Q20R9QH1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445676
(CHEMBL3104205)Show SMILES CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)Nc2c(C)noc2C)cc1F)c1ccccc1 Show InChI InChI=1S/C28H35FN6O3/c1-5-33(6-2)27(36)26(21-10-8-7-9-11-21)35-16-14-34(15-17-35)24-13-12-22(18-23(24)29)30-28(37)31-25-19(3)32-38-20(25)4/h7-13,18,26H,5-6,14-17H2,1-4H3,(H2,30,31,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445643
(CHEMBL3104194)Show SMILES CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(OC)cc2)c(F)c1 Show InChI InChI=1S/C29H41FN4O3/c1-6-21(7-2)28(35)31-23-12-15-26(25(30)20-23)33-16-18-34(19-17-33)27(29(36)32(8-3)9-4)22-10-13-24(37-5)14-11-22/h10-15,20-21,27H,6-9,16-19H2,1-5H3,(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50384216
(CHEMBL2030155)Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C27H31N3O3S2/c1-29(2)35(32,33)25-15-13-24(14-16-25)28-26(34)30-19-17-23(18-20-30)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3,(H,28,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at neuropeptide Y receptor Y2 |
Bioorg Med Chem Lett 22: 3916-20 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.107
BindingDB Entry DOI: 10.7270/Q2WH2R15 |
More data for this
Ligand-Target Pair | |
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