Found 262 hits with Last Name = 'mays' and Initial = 'r' 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)) | BDBM50197025
(CHEMBL439904 | PYY(3-36))Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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 Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208974
(CHEMBL390543 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H23Cl2N3O/c1-15-7-10-18(11-8-15)28-14-21(23(29)26-17-5-3-2-4-6-17)27-22(28)19-12-9-16(24)13-20(19)25/h7-14,17H,2-6H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208948
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...)Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198507
(2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...)Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)| Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198532
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl...)Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(26.26,-34.21,;26.75,-35.67,;28.23,-36.14,;28.24,-37.69,;29.57,-38.46,;30.91,-37.69,;30.91,-36.14,;32.25,-35.37,;33.58,-36.16,;34.91,-35.39,;34.92,-33.85,;33.59,-33.08,;32.25,-33.84,;29.57,-35.36,;29.57,-33.82,;26.77,-38.17,;25.85,-36.93,;24.31,-36.94,;23.54,-35.62,;22,-35.63,;21.24,-36.97,;19.7,-36.98,;22.03,-38.3,;23.56,-38.28,;26.3,-39.64,;24.79,-39.96,;24.32,-41.43,;25.36,-42.57,;26.87,-42.23,;27.33,-40.77,;28.84,-40.43,)| Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(15-16-29(26(24)31)20-7-3-2-4-8-20)30(22-10-6-5-9-21(22)28)25(17)18-11-13-19(27)14-12-18/h5-6,9-14,20H,2-4,7-8,15-16H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197011
(CHEMBL238533 | PYY(22-36))Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)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](C(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:84.85,14.15,69.70,31.30,85.88,102.103,53.54,4.4,122.123,wD:20.19,77.78,41.41,91.92,8.10,61.62,111.112,(-4.56,-28.45,;-4.56,-29.99,;-3.22,-30.76,;-5.89,-30.76,;-5.89,-32.3,;-7.22,-33.07,;-8.56,-32.3,;-8.56,-30.76,;-9.89,-33.07,;-9.89,-34.61,;-8.57,-35.38,;-11.22,-32.3,;-12.55,-33.08,;-12.55,-34.62,;-13.88,-32.31,;-13.88,-30.77,;-15.22,-33.08,;-4.56,-33.07,;-4.56,-34.61,;-3.23,-32.29,;-1.9,-33.05,;-1.9,-34.59,;-.57,-35.36,;-.57,-36.9,;.76,-37.67,;.78,-39.21,;-.56,-39.98,;2.11,-39.98,;-.57,-32.28,;-.57,-30.74,;.76,-33.05,;2.11,-32.3,;2.11,-30.76,;3.43,-29.99,;4.84,-30.62,;5.87,-29.47,;5.1,-28.14,;3.6,-28.45,;3.43,-33.07,;3.43,-34.61,;4.77,-32.29,;6.1,-33.06,;6.1,-34.6,;7.43,-35.37,;8.77,-34.6,;10.1,-35.37,;10.1,-36.91,;11.42,-37.68,;8.77,-37.68,;7.43,-36.91,;7.43,-32.29,;7.43,-30.75,;8.76,-33.06,;10.1,-32.29,;10.1,-30.75,;11.43,-29.98,;11.43,-28.44,;12.76,-30.75,;11.43,-33.06,;11.43,-34.6,;12.76,-32.29,;14.09,-33.06,;14.09,-34.6,;15.42,-35.37,;16.76,-34.6,;15.42,-36.91,;15.42,-32.29,;15.42,-30.75,;16.76,-33.06,;18.1,-32.29,;18.1,-30.75,;19.43,-29.98,;19.43,-28.44,;20.76,-30.75,;19.43,-33.06,;19.43,-34.6,;20.76,-32.29,;22.09,-33.06,;22.09,-34.6,;23.42,-35.37,;20.75,-35.37,;23.42,-32.29,;23.42,-30.75,;24.75,-33.06,;26.09,-32.29,;26.09,-30.75,;24.75,-29.98,;27.41,-29.97,;27.42,-33.06,;27.42,-34.6,;28.75,-32.29,;30.08,-33.06,;30.08,-34.6,;31.41,-35.37,;31.41,-36.91,;32.75,-37.68,;32.75,-39.22,;31.42,-39.99,;34.09,-39.99,;31.41,-32.29,;31.41,-30.75,;32.75,-33.06,;34.08,-32.29,;34.08,-30.75,;35.41,-29.98,;35.41,-28.44,;34.08,-27.67,;36.75,-27.67,;35.41,-33.06,;35.41,-34.6,;36.74,-32.29,;38.08,-33.06,;38.08,-34.6,;39.41,-35.37,;39.41,-36.91,;40.74,-37.67,;40.74,-39.21,;39.4,-39.98,;42.08,-39.98,;39.41,-32.29,;39.41,-30.75,;40.74,-33.06,;42.07,-32.29,;42.07,-30.75,;43.4,-29.98,;44.74,-30.75,;46.08,-29.98,;46.08,-28.44,;47.4,-27.67,;44.74,-27.67,;43.4,-28.44,;43.4,-33.06,;44.74,-32.29,;43.4,-34.6,)| Show InChI InChI=1S/C84H137N29O21/c1-40(2)30-56(107-79(132)62(38-114)111-68(121)44(9)85)73(126)101-52(15-12-28-97-83(91)92)71(124)109-60(35-48-37-95-39-99-48)76(129)108-59(34-47-19-23-50(117)24-20-47)75(128)105-57(31-41(3)4)74(127)110-61(36-64(87)119)77(130)106-58(32-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(16-13-29-98-84(93)94)69(122)102-54(25-26-63(86)118)72(125)100-51(14-11-27-96-82(89)90)70(123)104-55(67(88)120)33-46-17-21-49(116)22-18-46/h17-24,37,39-45,51-62,65-66,114-117H,11-16,25-36,38,85H2,1-10H3,(H2,86,118)(H2,87,119)(H2,88,120)(H,95,99)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198519
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...)Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)| Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208975
(1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1...)Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1O Show InChI InChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50140237
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197010
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)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](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:8.17,67.69,81.83,30.39,101.103,51.53,wD:74.76,75.79,4.4,20.28,92.94,112.114,59.61,(11.01,-29.89,;11.01,-28.35,;12.34,-27.58,;9.68,-27.58,;9.68,-26.04,;8.34,-25.27,;7.01,-26.04,;7.01,-27.58,;5.67,-25.27,;5.67,-23.73,;7.01,-22.96,;8.34,-23.73,;9.67,-22.96,;9.67,-21.42,;11.01,-20.65,;8.33,-20.65,;7,-21.42,;4.34,-26.04,;3.01,-25.27,;3.01,-23.73,;1.67,-26.04,;1.67,-27.58,;3.01,-28.35,;4.48,-27.88,;5.38,-29.14,;4.46,-30.37,;3,-29.88,;.34,-25.27,;-.99,-26.04,;-.99,-27.58,;-2.33,-25.27,;-2.33,-23.73,;-.99,-22.96,;-.99,-21.42,;.34,-20.65,;.34,-19.1,;1.67,-18.33,;-.99,-18.33,;-3.66,-26.04,;-5,-25.27,;-5,-23.73,;-6.33,-26.04,;-6.32,-27.56,;-7.65,-28.34,;-8.99,-27.57,;-8.99,-26.03,;-7.66,-25.26,;-7.66,-23.72,;11.01,-25.27,;11.01,-23.73,;12.34,-26.04,;13.66,-25.25,;13.64,-23.71,;14.97,-22.92,;16.31,-23.67,;14.94,-21.38,;15.01,-26,;15.03,-27.54,;16.33,-25.21,;17.67,-25.96,;17.7,-27.5,;19.04,-28.25,;19.06,-29.79,;20.36,-27.47,;19,-25.17,;18.98,-23.63,;20.34,-25.93,;21.66,-25.14,;21.64,-23.6,;22.97,-22.81,;20.3,-22.85,;23.01,-25.89,;23.03,-27.43,;24.33,-25.1,;25.68,-25.85,;25.7,-27.39,;24.37,-28.18,;27.04,-28.14,;27,-25.06,;26.98,-23.52,;28.34,-25.82,;29.67,-25.03,;29.65,-23.49,;30.97,-22.7,;30.95,-21.16,;32.27,-20.37,;32.25,-18.83,;33.57,-18.04,;30.9,-18.08,;31.01,-25.78,;31.03,-27.32,;32.33,-24.99,;33.68,-25.74,;33.7,-27.28,;35.04,-28.03,;35.06,-29.57,;33.74,-30.36,;36.41,-30.32,;35,-24.95,;34.98,-23.41,;36.34,-25.7,;37.67,-24.92,;37.65,-23.38,;38.97,-22.59,;38.95,-21.05,;40.27,-20.26,;40.25,-18.72,;41.57,-17.93,;38.91,-17.97,;39.01,-25.67,;39.03,-27.21,;40.34,-24.88,;41.68,-25.63,;41.7,-27.17,;43.04,-27.92,;43.06,-29.46,;44.4,-30.21,;45.73,-29.42,;47.07,-30.17,;45.7,-27.87,;44.36,-27.13,;43,-24.84,;44.35,-25.59,;42.98,-23.3,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197019
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc(N)c1)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](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:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(11.09,-34.41,;11.09,-35.95,;12.43,-36.72,;9.76,-36.72,;9.76,-38.26,;8.42,-39.01,;7.09,-38.24,;7.09,-36.7,;5.76,-39.01,;5.76,-40.55,;7.09,-41.32,;8.42,-40.55,;9.76,-41.32,;9.76,-42.86,;11.07,-43.63,;8.42,-43.63,;7.09,-42.86,;4.42,-38.25,;3.1,-39.03,;3.1,-40.57,;1.77,-38.26,;1.77,-36.72,;3.1,-35.95,;4.5,-36.58,;5.54,-35.43,;4.77,-34.1,;3.26,-34.42,;.43,-39.02,;-.91,-38.25,;-.91,-36.71,;-2.23,-39.02,;-2.23,-40.56,;-.91,-41.33,;-.91,-42.87,;.43,-43.64,;.44,-45.18,;-.91,-45.94,;1.75,-45.94,;-3.57,-38.26,;-4.89,-39.04,;-4.89,-40.58,;-6.23,-38.27,;-6.23,-36.73,;-7.56,-35.97,;-8.89,-36.74,;-8.89,-38.28,;-10.22,-39.06,;-7.55,-39.05,;11.09,-39.03,;11.09,-40.57,;12.42,-38.25,;13.75,-39.02,;13.75,-40.56,;15.08,-41.33,;16.41,-40.55,;15.08,-42.87,;15.08,-38.25,;15.08,-36.71,;16.42,-39.01,;17.75,-38.25,;17.75,-36.71,;19.08,-35.94,;19.08,-34.4,;20.42,-36.71,;19.08,-39.02,;19.08,-40.56,;20.41,-38.24,;21.74,-39.02,;21.74,-40.56,;23.07,-41.33,;20.41,-41.33,;23.07,-38.25,;23.07,-36.71,;24.41,-39.02,;25.74,-38.25,;25.74,-36.71,;24.41,-35.94,;27.07,-35.93,;27.07,-39.02,;27.07,-40.56,;28.4,-38.24,;29.73,-39.01,;29.73,-40.55,;31.06,-41.32,;31.06,-42.86,;32.4,-43.63,;32.4,-45.17,;31.06,-45.93,;33.74,-45.93,;31.06,-38.24,;31.06,-36.7,;32.4,-39.01,;33.74,-38.25,;33.74,-36.71,;35.07,-35.94,;35.07,-34.4,;33.73,-33.62,;36.4,-33.63,;35.07,-39.02,;35.07,-40.56,;36.4,-38.24,;37.73,-39.02,;37.73,-40.56,;39.06,-41.33,;39.06,-42.87,;40.39,-43.63,;40.39,-45.17,;39.06,-45.93,;41.73,-45.93,;39.06,-38.25,;39.06,-36.71,;40.39,-39.01,;41.73,-38.25,;41.73,-36.71,;43.06,-35.94,;44.39,-36.71,;45.73,-35.94,;45.73,-34.4,;47.06,-33.63,;44.39,-33.63,;43.06,-34.4,;43.06,-39.02,;44.39,-38.25,;43.06,-40.56,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)30-55(100-71(119)57(33-44-19-23-49(109)24-20-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(14-9-27-91-77(84)85)95-65(113)45-12-8-13-46(80)34-45)70(118)104-59(36-61(82)111)73(121)101-56(31-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(16-11-29-93-79(88)89)66(114)97-53(25-26-60(81)110)69(117)96-51(15-10-28-92-78(86)87)67(115)99-54(64(83)112)32-43-17-21-48(108)22-18-43/h8,12-13,17-24,34,37-42,50-59,62-63,107-109H,9-11,14-16,25-33,35-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197010
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)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](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:8.17,67.69,81.83,30.39,101.103,51.53,wD:74.76,75.79,4.4,20.28,92.94,112.114,59.61,(11.01,-29.89,;11.01,-28.35,;12.34,-27.58,;9.68,-27.58,;9.68,-26.04,;8.34,-25.27,;7.01,-26.04,;7.01,-27.58,;5.67,-25.27,;5.67,-23.73,;7.01,-22.96,;8.34,-23.73,;9.67,-22.96,;9.67,-21.42,;11.01,-20.65,;8.33,-20.65,;7,-21.42,;4.34,-26.04,;3.01,-25.27,;3.01,-23.73,;1.67,-26.04,;1.67,-27.58,;3.01,-28.35,;4.48,-27.88,;5.38,-29.14,;4.46,-30.37,;3,-29.88,;.34,-25.27,;-.99,-26.04,;-.99,-27.58,;-2.33,-25.27,;-2.33,-23.73,;-.99,-22.96,;-.99,-21.42,;.34,-20.65,;.34,-19.1,;1.67,-18.33,;-.99,-18.33,;-3.66,-26.04,;-5,-25.27,;-5,-23.73,;-6.33,-26.04,;-6.32,-27.56,;-7.65,-28.34,;-8.99,-27.57,;-8.99,-26.03,;-7.66,-25.26,;-7.66,-23.72,;11.01,-25.27,;11.01,-23.73,;12.34,-26.04,;13.66,-25.25,;13.64,-23.71,;14.97,-22.92,;16.31,-23.67,;14.94,-21.38,;15.01,-26,;15.03,-27.54,;16.33,-25.21,;17.67,-25.96,;17.7,-27.5,;19.04,-28.25,;19.06,-29.79,;20.36,-27.47,;19,-25.17,;18.98,-23.63,;20.34,-25.93,;21.66,-25.14,;21.64,-23.6,;22.97,-22.81,;20.3,-22.85,;23.01,-25.89,;23.03,-27.43,;24.33,-25.1,;25.68,-25.85,;25.7,-27.39,;24.37,-28.18,;27.04,-28.14,;27,-25.06,;26.98,-23.52,;28.34,-25.82,;29.67,-25.03,;29.65,-23.49,;30.97,-22.7,;30.95,-21.16,;32.27,-20.37,;32.25,-18.83,;33.57,-18.04,;30.9,-18.08,;31.01,-25.78,;31.03,-27.32,;32.33,-24.99,;33.68,-25.74,;33.7,-27.28,;35.04,-28.03,;35.06,-29.57,;33.74,-30.36,;36.41,-30.32,;35,-24.95,;34.98,-23.41,;36.34,-25.7,;37.67,-24.92,;37.65,-23.38,;38.97,-22.59,;38.95,-21.05,;40.27,-20.26,;40.25,-18.72,;41.57,-17.93,;38.91,-17.97,;39.01,-25.67,;39.03,-27.21,;40.34,-24.88,;41.68,-25.63,;41.7,-27.17,;43.04,-27.92,;43.06,-29.46,;44.4,-30.21,;45.73,-29.42,;47.07,-30.17,;45.7,-27.87,;44.36,-27.13,;43,-24.84,;44.35,-25.59,;42.98,-23.3,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY2 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198526
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24.84,-43.69,;25.32,-45.15,;26.8,-45.62,;26.81,-47.17,;28.14,-47.94,;29.49,-47.17,;29.49,-45.62,;30.82,-44.86,;32.15,-45.64,;33.48,-44.88,;33.49,-43.34,;32.16,-42.56,;30.82,-43.33,;28.14,-44.85,;28.14,-43.31,;25.34,-47.66,;24.42,-46.42,;22.88,-46.43,;22.11,-45.1,;20.57,-45.11,;19.81,-46.45,;20.6,-47.79,;22.14,-47.77,;18.27,-46.47,;16.73,-46.46,;18.28,-48.01,;18.27,-44.93,;24.87,-49.12,;23.36,-49.45,;22.9,-50.91,;23.93,-52.05,;23.47,-53.52,;25.44,-51.72,;25.91,-50.25,;27.41,-49.92,)| Show InChI InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(13-14-33(26(24)35)20-5-3-2-4-6-20)34(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(30,31)32/h7-12,15,20H,2-6,13-14H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208955
(2-(2-chlorophenyl)-N-cyclohexyl-1-p-tolyl-1H-imida...)Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H24ClN3O/c1-16-11-13-18(14-12-16)27-15-21(23(28)25-17-7-3-2-4-8-17)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208951
(CHEMBL229583 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H23Cl2N3O2/c1-30-18-10-8-17(9-11-18)28-14-21(23(29)26-16-5-3-2-4-6-16)27-22(28)19-12-7-15(24)13-20(19)25/h7-14,16H,2-6H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
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 |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY2 receptor in KAN-TS cells by SPA assay |
Bioorg Med Chem Lett 17: 1916-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.045
BindingDB Entry DOI: 10.7270/Q2WW7HB0 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197023
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES COc1cc(ccc1N)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](C(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:76.78,77.81,45.47,94.96,23.23,61.63,114.116,wD:69.71,33.34,12.12,83.85,53.55,103.105,(-10.19,-15.44,;-8.86,-16.2,;-7.52,-15.43,;-6.19,-16.19,;-4.87,-15.42,;-4.86,-13.88,;-6.2,-13.11,;-7.53,-13.88,;-8.87,-13.11,;-3.53,-16.18,;-3.53,-17.72,;-2.21,-15.4,;-.87,-16.16,;-.87,-17.7,;.46,-18.47,;.46,-20.01,;1.79,-20.78,;1.8,-22.32,;.45,-23.09,;3.11,-23.09,;.46,-15.39,;.46,-13.85,;1.79,-16.16,;3.13,-15.4,;3.13,-13.86,;4.46,-13.09,;5.87,-13.72,;6.9,-12.57,;6.13,-11.24,;4.62,-11.56,;4.46,-16.17,;4.46,-17.71,;5.79,-15.39,;7.12,-16.16,;7.12,-17.7,;8.45,-18.47,;9.79,-17.7,;11.12,-18.47,;11.12,-20.01,;12.43,-20.77,;9.79,-20.78,;8.45,-20.01,;8.45,-15.39,;8.45,-13.85,;9.78,-16.16,;11.12,-15.4,;11.12,-13.86,;12.45,-13.09,;12.45,-11.55,;13.79,-13.86,;12.45,-16.17,;12.45,-17.71,;13.78,-15.39,;15.11,-16.16,;15.11,-17.7,;16.44,-18.47,;17.77,-17.69,;16.44,-20.01,;16.44,-15.39,;16.44,-13.85,;17.78,-16.16,;19.12,-15.39,;19.12,-13.85,;20.44,-13.08,;20.44,-11.54,;21.78,-13.85,;20.44,-16.16,;20.44,-17.7,;21.78,-15.39,;23.11,-16.16,;23.11,-17.7,;24.44,-18.47,;21.77,-18.47,;24.44,-15.39,;24.44,-13.85,;25.77,-16.16,;27.11,-15.39,;27.11,-13.85,;25.77,-13.08,;28.43,-13.07,;28.44,-16.16,;28.44,-17.7,;29.77,-15.38,;31.1,-16.16,;31.1,-17.7,;32.43,-18.47,;32.43,-20.01,;33.76,-20.77,;33.76,-22.31,;32.43,-23.07,;35.1,-23.07,;32.43,-15.39,;32.43,-13.85,;33.76,-16.15,;35.1,-15.39,;35.1,-13.85,;36.43,-13.08,;36.43,-11.54,;35.1,-10.76,;37.77,-10.77,;36.43,-16.16,;36.43,-17.7,;37.76,-15.39,;39.09,-16.16,;39.09,-17.7,;40.42,-18.47,;40.42,-20.01,;41.76,-20.77,;41.76,-22.31,;40.42,-23.08,;43.09,-23.08,;40.42,-15.39,;40.42,-13.85,;41.76,-16.16,;43.09,-15.39,;43.09,-13.85,;44.42,-13.08,;45.76,-13.85,;47.09,-13.08,;47.09,-11.54,;48.42,-10.77,;45.76,-10.77,;44.42,-11.54,;44.42,-16.16,;45.76,-15.39,;44.42,-17.7,)| Show InChI InChI=1S/C80H123N27O19/c1-39(2)30-55(101-72(120)57(33-44-17-22-48(110)23-18-44)103-73(121)58(35-46-37-91-38-95-46)104-69(117)50(12-9-27-92-78(85)86)96-66(114)45-19-24-49(81)60(34-45)126-8)71(119)105-59(36-62(83)112)74(122)102-56(31-40(3)4)75(123)106-63(41(5)6)76(124)107-64(42(7)108)77(125)99-52(14-11-29-94-80(89)90)67(115)98-53(25-26-61(82)111)70(118)97-51(13-10-28-93-79(87)88)68(116)100-54(65(84)113)32-43-15-20-47(109)21-16-43/h15-24,34,37-42,50-59,63-64,108-110H,9-14,25-33,35-36,81H2,1-8H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,63+,64+/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 |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208968
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((...)Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O Show InChI InChI=1S/C24H25Cl2N3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1 | PDB
NCI pathway
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 |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198529
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3,4-dimetho...)Show SMILES COc1ccc(cc1OC)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(17.67,-33.55,;18.45,-34.87,;19.99,-34.86,;20.78,-36.19,;22.31,-36.17,;23.06,-34.83,;22.29,-33.51,;20.75,-33.52,;19.97,-32.19,;20.73,-30.85,;24.6,-34.82,;25.5,-33.56,;25.02,-32.1,;26.98,-34.03,;26.99,-35.58,;28.32,-36.35,;29.66,-35.58,;29.66,-34.03,;31,-33.26,;32.33,-34.04,;33.66,-33.28,;33.67,-31.74,;32.34,-30.97,;31,-31.73,;28.32,-33.25,;28.32,-31.71,;25.52,-36.06,;25.05,-37.53,;23.54,-37.85,;23.08,-39.31,;24.11,-40.45,;23.65,-41.92,;25.62,-40.12,;26.08,-38.65,;27.59,-38.32,)| Show InChI InChI=1S/C28H30Cl2N2O3/c1-17-26-23(13-14-31(28(26)33)20-7-5-4-6-8-20)32(22-11-10-19(29)16-21(22)30)27(17)18-9-12-24(34-2)25(15-18)35-3/h9-12,15-16,20H,4-8,13-14H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208972
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)Show SMILES CCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O Show InChI InChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197009
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1Cl)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](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:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(10.74,-29.55,;10.74,-31.09,;12.08,-31.86,;9.41,-31.86,;9.41,-33.4,;8.07,-34.16,;6.74,-33.39,;6.74,-31.85,;5.41,-34.16,;5.41,-35.7,;6.74,-36.47,;8.07,-35.7,;9.41,-36.47,;9.41,-38.01,;10.72,-38.77,;8.07,-38.78,;6.74,-38.01,;4.07,-33.39,;2.75,-34.18,;2.75,-35.72,;1.42,-33.41,;1.42,-31.87,;2.75,-31.1,;4.15,-31.73,;5.19,-30.58,;4.42,-29.25,;2.91,-29.57,;.08,-34.17,;-1.26,-33.4,;-1.26,-31.86,;-2.58,-34.17,;-2.58,-35.71,;-1.26,-36.48,;-1.26,-38.02,;.08,-38.79,;.09,-40.33,;-1.26,-41.09,;1.4,-41.09,;-3.92,-33.4,;-5.24,-34.19,;-5.24,-35.73,;-6.58,-33.42,;-6.58,-31.88,;-7.91,-31.11,;-9.24,-31.88,;-10.58,-31.12,;-9.24,-33.43,;-7.9,-34.19,;-7.9,-35.73,;10.74,-34.17,;10.74,-35.71,;12.07,-33.39,;13.4,-34.16,;13.4,-35.7,;14.73,-36.47,;16.06,-35.7,;14.73,-38.01,;14.73,-33.39,;14.73,-31.85,;16.07,-34.16,;17.4,-33.4,;17.4,-31.86,;18.73,-31.09,;18.73,-29.55,;20.07,-31.86,;18.73,-34.17,;18.73,-35.71,;20.06,-33.39,;21.39,-34.16,;21.39,-35.7,;22.72,-36.47,;20.06,-36.47,;22.72,-33.39,;22.72,-31.85,;24.06,-34.16,;25.39,-33.39,;25.39,-31.85,;24.06,-31.08,;26.72,-31.08,;26.72,-34.16,;26.72,-35.7,;28.05,-33.39,;29.38,-34.16,;29.38,-35.7,;30.71,-36.47,;30.71,-38.01,;32.05,-38.77,;32.05,-40.31,;30.71,-41.08,;33.39,-41.08,;30.71,-33.39,;30.71,-31.85,;32.05,-34.16,;33.39,-33.39,;33.39,-31.85,;34.72,-31.08,;34.72,-29.54,;33.38,-28.77,;36.05,-28.77,;34.72,-34.16,;34.72,-35.7,;36.05,-33.39,;37.38,-34.16,;37.38,-35.7,;38.71,-36.47,;38.71,-38.01,;40.04,-38.78,;40.04,-40.32,;38.71,-41.08,;41.38,-41.08,;38.71,-33.39,;38.71,-31.85,;40.04,-34.16,;41.38,-33.39,;41.38,-31.85,;42.71,-31.08,;44.04,-31.85,;45.38,-31.08,;45.38,-29.54,;46.71,-28.77,;44.04,-28.77,;42.71,-29.54,;42.71,-34.16,;44.04,-33.39,;42.71,-35.7,)| Show InChI InChI=1S/C79H120ClN27O18/c1-38(2)29-55(101-71(120)57(32-43-16-21-47(110)22-17-43)103-72(121)58(34-45-36-91-37-95-45)104-68(117)50(11-8-26-92-77(85)86)96-65(114)48-23-18-44(81)33-49(48)80)70(119)105-59(35-61(83)112)73(122)102-56(30-39(3)4)74(123)106-62(40(5)6)75(124)107-63(41(7)108)76(125)99-52(13-10-28-94-79(89)90)66(115)98-53(24-25-60(82)111)69(118)97-51(12-9-27-93-78(87)88)67(116)100-54(64(84)113)31-42-14-19-46(109)20-15-42/h14-23,33,36-41,50-59,62-63,108-110H,8-13,24-32,34-35,81H2,1-7H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t41-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197021
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1)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](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:73.75,74.78,4.4,91.93,20.28,58.60,111.113,wD:66.68,8.17,30.39,80.82,50.52,100.102,(12.08,-14.52,;12.08,-16.06,;13.42,-16.83,;10.75,-16.83,;10.75,-18.37,;9.41,-19.13,;8.08,-18.36,;8.08,-16.82,;6.75,-19.13,;6.75,-20.67,;8.08,-21.44,;9.41,-20.67,;10.75,-21.44,;10.75,-22.98,;12.06,-23.74,;9.41,-23.75,;8.08,-22.98,;5.41,-18.36,;4.09,-19.14,;4.09,-20.68,;2.76,-18.37,;2.76,-16.83,;4.09,-16.06,;5.49,-16.69,;6.53,-15.54,;5.76,-14.21,;4.25,-14.53,;1.42,-19.13,;.08,-18.36,;.08,-16.82,;-1.25,-19.13,;-1.25,-20.67,;.08,-21.44,;.08,-22.98,;1.42,-23.75,;1.43,-25.29,;.08,-26.06,;2.74,-26.06,;-2.58,-18.37,;-3.91,-19.15,;-3.9,-20.69,;-5.24,-18.39,;-5.24,-16.85,;-6.57,-16.08,;-7.91,-16.85,;-7.9,-18.4,;-6.57,-19.16,;12.08,-19.14,;12.08,-20.68,;13.41,-18.36,;14.74,-19.13,;14.74,-20.67,;16.07,-21.44,;17.4,-20.66,;16.07,-22.98,;16.07,-18.36,;16.07,-16.82,;17.4,-19.13,;18.74,-18.36,;18.74,-16.82,;20.07,-16.05,;20.07,-14.51,;21.41,-16.82,;20.07,-19.13,;20.07,-20.67,;21.4,-18.36,;22.73,-19.13,;22.73,-20.67,;24.06,-21.44,;21.4,-21.44,;24.06,-18.36,;24.06,-16.82,;25.4,-19.13,;26.73,-18.36,;26.73,-16.82,;25.4,-16.05,;28.06,-16.04,;28.06,-19.13,;28.06,-20.67,;29.39,-18.35,;30.72,-19.13,;30.72,-20.67,;32.05,-21.44,;32.05,-22.98,;33.39,-23.74,;33.39,-25.28,;32.05,-26.04,;34.73,-26.04,;32.05,-18.36,;32.05,-16.82,;33.39,-19.12,;34.73,-18.36,;34.73,-16.82,;36.05,-16.05,;36.05,-14.51,;34.72,-13.73,;37.39,-13.74,;36.05,-19.13,;36.05,-20.67,;37.39,-18.36,;38.72,-19.13,;38.72,-20.67,;40.05,-21.44,;40.05,-22.98,;41.38,-23.74,;41.38,-25.28,;40.05,-26.05,;42.72,-26.05,;40.05,-18.36,;40.05,-16.82,;41.38,-19.13,;42.72,-18.36,;42.72,-16.82,;44.05,-16.05,;45.38,-16.82,;46.72,-16.05,;46.72,-14.51,;48.05,-13.74,;45.38,-13.74,;44.05,-14.51,;44.05,-19.13,;45.38,-18.36,;44.05,-20.67,)| Show InChI InChI=1S/C79H120N26O18/c1-40(2)32-55(99-71(118)57(35-45-21-25-49(108)26-22-45)101-72(119)58(36-47-38-89-39-93-47)102-68(115)50(16-11-29-90-77(83)84)94-65(112)46-14-9-8-10-15-46)70(117)103-59(37-61(81)110)73(120)100-56(33-41(3)4)74(121)104-62(42(5)6)75(122)105-63(43(7)106)76(123)97-52(18-13-31-92-79(87)88)66(113)96-53(27-28-60(80)109)69(116)95-51(17-12-30-91-78(85)86)67(114)98-54(64(82)111)34-44-19-23-48(107)24-20-44/h8-10,14-15,19-26,38-43,50-59,62-63,106-108H,11-13,16-18,27-37H2,1-7H3,(H2,80,109)(H2,81,110)(H2,82,111)(H,89,93)(H,94,112)(H,95,116)(H,96,113)(H,97,123)(H,98,114)(H,99,118)(H,100,120)(H,101,119)(H,102,115)(H,103,117)(H,104,121)(H,105,122)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197020
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1)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](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:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(11.85,2.11,;11.85,.57,;13.19,-.2,;10.52,-.2,;10.52,-1.74,;9.18,-2.5,;7.85,-1.73,;7.85,-.19,;6.52,-2.5,;6.52,-4.04,;7.85,-4.81,;9.18,-4.04,;10.52,-4.81,;10.52,-6.35,;11.83,-7.11,;9.18,-7.12,;7.85,-6.35,;5.18,-1.73,;3.86,-2.51,;3.86,-4.05,;2.53,-1.74,;2.53,-.2,;3.86,.57,;5.27,-.06,;6.3,1.09,;5.53,2.42,;4.02,2.1,;1.19,-2.5,;-.15,-1.73,;-.15,-.19,;-1.47,-2.5,;-1.47,-4.04,;-.15,-4.81,;-.15,-6.35,;1.19,-7.12,;1.2,-8.66,;-.15,-9.43,;2.51,-9.43,;-2.81,-1.74,;-4.13,-2.53,;-4.13,-4.07,;-5.47,-1.76,;-5.47,-.22,;-6.8,.55,;-8.13,-.22,;-9.47,.55,;-8.13,-1.77,;-6.79,-2.53,;11.85,-2.51,;11.85,-4.05,;13.18,-1.73,;14.51,-2.5,;14.51,-4.04,;15.84,-4.81,;17.17,-4.03,;15.84,-6.35,;15.84,-1.73,;15.84,-.19,;17.18,-2.5,;18.51,-1.73,;18.51,-.19,;19.84,.58,;19.84,2.12,;21.18,-.19,;19.84,-2.5,;19.84,-4.04,;21.17,-1.73,;22.51,-2.5,;22.51,-4.04,;23.83,-4.81,;21.17,-4.81,;23.83,-1.73,;23.83,-.19,;25.17,-2.5,;26.51,-1.73,;26.51,-.19,;25.17,.58,;27.83,.59,;27.83,-2.5,;27.83,-4.04,;29.16,-1.72,;30.49,-2.5,;30.49,-4.04,;31.82,-4.81,;31.82,-6.35,;33.16,-7.11,;33.16,-8.65,;31.82,-9.41,;34.5,-9.41,;31.82,-1.73,;31.82,-.19,;33.16,-2.49,;34.5,-1.73,;34.5,-.19,;35.83,.58,;35.83,2.12,;34.49,2.9,;37.16,2.89,;35.83,-2.5,;35.83,-4.04,;37.16,-1.73,;38.49,-2.5,;38.49,-4.04,;39.82,-4.81,;39.82,-6.35,;41.16,-7.11,;41.16,-8.65,;39.82,-9.42,;42.49,-9.42,;39.82,-1.73,;39.82,-.19,;41.15,-2.5,;42.49,-1.73,;42.49,-.19,;43.82,.58,;45.16,-.19,;46.49,.58,;46.49,2.12,;47.82,2.89,;45.16,2.89,;43.82,2.12,;43.82,-2.5,;45.16,-1.73,;43.82,-4.04,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-16-24-49(109)25-17-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(11-8-28-91-77(84)85)95-65(113)45-18-20-46(80)21-19-45)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(13-10-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(12-9-29-92-78(86)87)67(115)99-54(64(83)112)33-43-14-22-48(108)23-15-43/h14-25,37-42,50-59,62-63,107-109H,8-13,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197022
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)c(C)c1)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](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:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(11.41,4.2,;11.41,2.66,;12.75,1.89,;10.08,1.89,;10.08,.35,;8.74,-.4,;7.4,.36,;7.4,1.9,;6.08,-.41,;6.08,-1.95,;7.4,-2.72,;8.74,-1.95,;10.08,-2.72,;10.08,-4.26,;11.39,-5.02,;8.74,-5.03,;7.4,-4.26,;4.74,.36,;3.41,-.42,;3.41,-1.96,;2.09,.35,;2.09,1.89,;3.41,2.66,;4.82,2.03,;5.86,3.18,;5.09,4.51,;3.58,4.19,;.75,-.41,;-.59,.36,;-.59,1.9,;-1.92,-.41,;-1.92,-1.95,;-.59,-2.72,;-.59,-4.26,;.75,-5.03,;.75,-6.57,;-.6,-7.34,;2.07,-7.34,;-3.25,.35,;-4.58,-.43,;-4.57,-1.97,;-5.91,.33,;-5.91,1.87,;-7.24,2.64,;-8.58,1.87,;-9.91,2.64,;-8.57,.32,;-9.9,-.45,;-7.24,-.44,;11.41,-.42,;11.41,-1.96,;12.74,.36,;14.07,-.41,;14.07,-1.95,;15.4,-2.72,;16.72,-1.94,;15.4,-4.26,;15.4,.36,;15.4,1.9,;16.73,-.41,;18.07,.36,;18.07,1.9,;19.4,2.67,;19.4,4.21,;20.74,1.9,;19.4,-.41,;19.4,-1.95,;20.73,.36,;22.06,-.41,;22.06,-1.95,;23.39,-2.72,;20.73,-2.72,;23.39,.36,;23.39,1.9,;24.73,-.41,;26.06,.36,;26.06,1.9,;24.73,2.67,;27.39,2.68,;27.39,-.41,;27.39,-1.95,;28.72,.37,;30.05,-.41,;30.05,-1.95,;31.38,-2.72,;31.38,-4.26,;32.72,-5.02,;32.72,-6.56,;31.38,-7.32,;34.05,-7.32,;31.38,.36,;31.38,1.9,;32.72,-.4,;34.06,.36,;34.06,1.9,;35.38,2.67,;35.38,4.21,;34.05,4.99,;36.72,4.98,;35.38,-.41,;35.38,-1.95,;36.72,.37,;38.05,-.41,;38.05,-1.95,;39.38,-2.72,;39.38,-4.26,;40.71,-5.02,;40.71,-6.56,;39.38,-7.32,;42.05,-7.32,;39.38,.36,;39.38,1.9,;40.71,-.4,;42.05,.36,;42.05,1.9,;43.38,2.67,;44.71,1.9,;46.05,2.67,;46.05,4.21,;47.38,4.98,;44.71,4.98,;43.38,4.21,;43.38,-.41,;44.71,.36,;43.38,-1.95,)| Show InChI InChI=1S/C80H123N27O18/c1-39(2)30-56(101-72(120)58(34-45-17-22-49(110)23-18-45)103-73(121)59(35-47-37-91-38-95-47)104-69(117)51(12-9-27-92-78(85)86)96-66(114)46-19-24-50(81)42(7)32-46)71(119)105-60(36-62(83)112)74(122)102-57(31-40(3)4)75(123)106-63(41(5)6)76(124)107-64(43(8)108)77(125)99-53(14-11-29-94-80(89)90)67(115)98-54(25-26-61(82)111)70(118)97-52(13-10-28-93-79(87)88)68(116)100-55(65(84)113)33-44-15-20-48(109)21-16-44/h15-24,32,37-41,43,51-60,63-64,108-110H,9-14,25-31,33-36,81H2,1-8H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+,64+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198525
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-fluorophe...)Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(F)cc1)-c1ccc(Cl)cc1Cl |(24.41,-25.67,;24.9,-27.13,;26.37,-27.6,;26.38,-29.15,;27.72,-29.92,;29.06,-29.15,;29.06,-27.61,;30.39,-26.84,;31.73,-27.62,;33.06,-26.86,;33.07,-25.32,;31.73,-24.54,;30.39,-25.31,;27.72,-26.83,;27.72,-25.29,;24.91,-29.64,;24,-28.4,;22.46,-28.41,;21.68,-27.08,;20.14,-27.09,;19.38,-28.43,;17.84,-28.45,;20.17,-29.77,;21.71,-29.75,;24.44,-31.1,;22.94,-31.43,;22.47,-32.89,;23.51,-34.03,;23.04,-35.5,;25.02,-33.7,;25.48,-32.23,;26.98,-31.9,)| Show InChI InChI=1S/C26H25Cl2FN2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-9-18(27)15-21(22)28)25(16)17-7-10-19(29)11-8-17/h7-12,15,20H,2-6,13-14H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208969
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2R)-2...)Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208978
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)Show SMILES Cc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O Show InChI InChI=1S/C23H23Cl2N3O2/c1-14-21(23(30)26-19-8-4-5-9-20(19)29)27-22(17-6-2-3-7-18(17)25)28(14)16-12-10-15(24)11-13-16/h2-3,6-7,10-13,19-20,29H,4-5,8-9H2,1H3,(H,26,30)/t19-,20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208973
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dimethylphe...)Show SMILES Cc1ccc(-c2nc(cn2-c2ccc(Cl)cc2)C(=O)NC2CCCCC2)c(C)c1 Show InChI InChI=1S/C24H26ClN3O/c1-16-8-13-21(17(2)14-16)23-27-22(24(29)26-19-6-4-3-5-7-19)15-28(23)20-11-9-18(25)10-12-20/h8-15,19H,3-7H2,1-2H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198513
(2-(4-chlorophenyl)-5-cyclohexyl-1-(2,4-dichlorophe...)Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(23.24,5.12,;23.72,3.66,;25.2,3.19,;25.21,1.64,;26.54,.87,;27.89,1.64,;27.89,3.19,;29.22,3.96,;30.55,3.17,;31.88,3.94,;31.89,5.48,;30.56,6.25,;29.22,5.49,;26.54,3.97,;26.55,5.51,;23.74,1.16,;22.82,2.4,;21.29,2.39,;20.51,3.71,;18.97,3.7,;18.21,2.36,;16.67,2.35,;19,1.03,;20.54,1.05,;23.27,-.31,;21.77,-.63,;21.3,-2.1,;22.33,-3.24,;21.87,-4.7,;23.84,-2.9,;24.31,-1.44,;25.81,-1.1,)| Show InChI InChI=1S/C26H25Cl3N2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(27)10-8-17/h7-12,15,20H,2-6,13-14H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198516
(1-(2-chlorophenyl)-5-cyclohexyl-2-(4-methoxyphenyl...)Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1Cl |(-8.63,2.58,;-7.85,1.25,;-6.31,1.27,;-5.55,2.61,;-4.01,2.62,;-3.23,1.29,;-3.98,-.05,;-5.52,-.07,;-1.69,1.3,;-.79,2.57,;-1.28,4.03,;.68,2.1,;.69,.55,;2.03,-.22,;3.37,.55,;3.37,2.1,;4.7,2.86,;6.04,2.08,;7.37,2.84,;7.38,4.38,;6.04,5.16,;4.7,4.39,;2.03,2.87,;2.03,4.41,;-.78,.06,;-1.25,-1.4,;-2.75,-1.73,;-3.22,-3.19,;-2.18,-4.33,;-.67,-4,;-.21,-2.53,;1.29,-2.2,)| Show InChI InChI=1S/C27H29ClN2O2/c1-18-25-24(16-17-29(27(25)31)20-8-4-3-5-9-20)30(23-11-7-6-10-22(23)28)26(18)19-12-14-21(32-2)15-13-19/h6-7,10-15,20H,3-5,8-9,16-17H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50123692
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-pyr...)Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198511
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-methoxyph...)Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-7.11,4.66,;-6.32,3.34,;-4.78,3.35,;-4.02,4.69,;-2.49,4.7,;-1.71,3.38,;-2.46,2.04,;-4,2.02,;-.17,3.39,;.73,4.65,;.24,6.11,;2.21,4.18,;2.21,2.63,;3.55,1.86,;4.89,2.63,;4.89,4.18,;6.22,4.95,;7.56,4.17,;8.89,4.93,;8.9,6.47,;7.57,7.24,;6.22,6.48,;3.55,4.96,;3.55,6.5,;.74,2.15,;.28,.68,;-1.23,.36,;-1.7,-1.1,;-.66,-2.24,;-1.13,-3.71,;.85,-1.91,;1.31,-.44,;2.81,-.11,)| Show InChI InChI=1S/C27H28Cl2N2O2/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319488
(CHEMBL1084901 | rac-{5-Chloro-3-[2-(3,5-dimethyl-i...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C24H22ClN3O5S/c1-13-19(15(3)33-26-13)11-28-24(17-6-4-5-7-21(17)34(28,31)32)23-14(2)27(12-22(29)30)20-9-8-16(25)10-18(20)23/h4-10,24H,11-12H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50205095
((S)-2-((S)-2-((2S,3R)-2-((S)-2-((S)-2-((S)-2-((S)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)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:84.87,51.52,101.102,29.28,67.68,121.122,4.4,83.84,wD:8.10,39.39,18.17,90.91,59.60,110.111,75.76,(-8.63,-37.13,;-8.63,-38.67,;-7.29,-39.44,;-9.96,-39.44,;-9.96,-40.98,;-11.29,-41.76,;-12.63,-40.99,;-12.63,-39.45,;-13.96,-41.76,;-13.96,-43.3,;-15.3,-44.07,;-15.29,-40.99,;-16.63,-41.76,;-17.96,-40.99,;-16.63,-43.3,;-8.63,-41.75,;-8.63,-43.29,;-7.3,-40.98,;-5.97,-41.77,;-5.97,-43.31,;-4.63,-44.08,;-4.63,-45.62,;-3.28,-46.37,;-3.3,-47.91,;-4.64,-48.68,;-1.96,-48.68,;-4.63,-41,;-4.63,-39.46,;-3.28,-41.75,;-1.95,-40.98,;-1.95,-39.44,;-.61,-38.67,;.8,-39.31,;1.83,-38.16,;1.06,-36.83,;-.45,-37.14,;-.61,-41.75,;-.61,-43.29,;.72,-40.97,;2.06,-41.74,;2.06,-43.28,;3.38,-44.05,;4.71,-43.28,;6.04,-44.05,;6.04,-45.59,;7.37,-46.35,;4.71,-46.36,;3.38,-45.59,;3.38,-40.97,;3.38,-39.43,;4.72,-41.74,;6.05,-40.96,;6.05,-39.42,;7.39,-38.65,;7.39,-37.11,;8.74,-39.42,;7.39,-41.73,;7.39,-43.27,;8.73,-40.97,;10.05,-41.76,;10.05,-43.3,;11.39,-44.07,;12.73,-43.28,;11.39,-45.61,;11.39,-40.99,;11.39,-39.45,;12.73,-41.75,;14.07,-40.98,;14.07,-39.44,;15.41,-38.67,;15.41,-37.13,;16.74,-39.44,;15.41,-41.75,;15.41,-43.29,;16.75,-40.98,;18.08,-41.75,;18.07,-43.29,;19.41,-44.07,;19.41,-45.61,;20.75,-43.31,;19.42,-40.98,;19.42,-39.44,;20.75,-41.76,;22.09,-40.98,;22.09,-39.44,;20.76,-38.67,;23.39,-38.65,;23.43,-41.75,;23.43,-43.29,;24.75,-40.96,;26.08,-41.73,;26.08,-43.27,;27.42,-44.04,;27.42,-45.58,;28.75,-46.35,;28.8,-47.89,;27.42,-48.64,;30.1,-48.65,;27.42,-40.96,;27.42,-39.42,;28.75,-41.73,;30.1,-40.99,;30.1,-39.45,;31.44,-38.68,;31.44,-37.14,;30.09,-36.36,;32.77,-36.37,;31.44,-41.76,;31.44,-43.3,;32.77,-40.98,;34.1,-41.76,;34.1,-43.3,;35.44,-44.07,;35.44,-45.61,;36.77,-46.37,;36.79,-47.91,;35.44,-48.67,;38.11,-48.67,;35.44,-40.99,;35.44,-39.45,;36.77,-41.76,;38.11,-40.99,;38.11,-39.45,;39.44,-38.68,;40.78,-39.45,;42.11,-38.68,;42.11,-37.14,;43.45,-36.37,;40.78,-36.37,;39.44,-37.14,;39.44,-41.76,;40.78,-40.99,;39.44,-43.3,)| Show InChI InChI=1S/C84H136N28O20S/c1-41(2)30-57(108-80(131)64(39-133)99-46(10)114)73(124)101-53(15-12-28-96-83(90)91)71(122)110-62(36-49-38-94-40-98-49)77(128)109-61(35-48-19-23-51(116)24-20-48)76(127)105-59(32-43(5)6)75(126)111-63(37-66(86)118)78(129)106-58(31-42(3)4)74(125)107-60(33-44(7)8)79(130)112-67(45(9)113)81(132)103-54(16-13-29-97-84(92)93)69(120)102-55(25-26-65(85)117)72(123)100-52(14-11-27-95-82(88)89)70(121)104-56(68(87)119)34-47-17-21-50(115)22-18-47/h17-24,38,40-45,52-64,67,113,115-116,133H,11-16,25-37,39H2,1-10H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,114)(H,100,123)(H,101,124)(H,102,120)(H,103,132)(H,104,121)(H,105,127)(H,106,129)(H,107,125)(H,108,131)(H,109,128)(H,110,122)(H,111,126)(H,112,130)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,67+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY2 receptor in KAN-TS cells by SPA assay |
Bioorg Med Chem Lett 17: 1916-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.045
BindingDB Entry DOI: 10.7270/Q2WW7HB0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208956
(CHEMBL229584 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)Show SMILES Fc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H20Cl2FN3O/c23-14-6-11-18(19(24)12-14)21-27-20(22(29)26-16-4-2-1-3-5-16)13-28(21)17-9-7-15(25)8-10-17/h6-13,16H,1-5H2,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208982
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-methoxyphenyl...)Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H24ClN3O2/c1-29-18-13-11-17(12-14-18)27-15-21(23(28)25-16-7-3-2-4-8-16)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-16H,2-4,7-8H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50091668
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)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 Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198535
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C=C)cc1)-c1ccc(Cl)cc1Cl |(24.28,6.62,;24.77,5.16,;26.25,4.69,;26.25,3.14,;27.59,2.37,;28.93,3.14,;28.93,4.69,;30.26,5.46,;31.6,4.67,;32.93,5.43,;32.94,6.97,;31.61,7.75,;30.27,6.99,;27.59,5.47,;27.59,7.01,;24.78,2.65,;23.87,3.9,;22.33,3.89,;21.55,5.21,;20.01,5.2,;19.25,3.86,;17.71,3.84,;16.93,5.17,;20.04,2.53,;21.58,2.54,;24.31,1.19,;22.81,.87,;22.34,-.6,;23.38,-1.74,;22.91,-3.21,;24.89,-1.41,;25.35,.06,;26.85,.39,)| Show InChI InChI=1S/C28H28Cl2N2O/c1-3-19-9-11-20(12-10-19)27-18(2)26-25(32(27)24-14-13-21(29)17-23(24)30)15-16-31(28(26)33)22-7-5-4-6-8-22/h3,9-14,17,22H,1,4-8,15-16H2,2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50198517
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-p-t...)Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C)cc1)-c1ccc(Cl)cc1Cl |(.74,-41.76,;1.22,-43.22,;2.7,-43.69,;2.71,-45.24,;4.04,-46.01,;5.39,-45.24,;5.39,-43.69,;6.72,-42.92,;8.05,-43.71,;9.38,-42.95,;9.39,-41.41,;8.06,-40.63,;6.72,-41.4,;4.04,-42.91,;4.05,-41.37,;1.24,-45.72,;.32,-44.48,;-1.22,-44.49,;-1.99,-43.17,;-3.53,-43.18,;-4.29,-44.52,;-5.83,-44.54,;-3.5,-45.85,;-1.96,-45.83,;.77,-47.19,;-.73,-47.51,;-1.2,-48.98,;-.17,-50.12,;-.63,-51.58,;1.34,-49.78,;1.81,-48.32,;3.31,-47.98,)| Show InChI InChI=1S/C27H28Cl2N2O/c1-17-8-10-19(11-9-17)26-18(2)25-24(31(26)23-13-12-20(28)16-22(23)29)14-15-30(27(25)32)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 673-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208971
(5-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((...)Show SMILES CCCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O Show InChI InChI=1S/C26H29Cl2N3O2/c1-2-3-11-22-24(26(33)29-21-10-6-7-12-23(21)32)30-25(19-8-4-5-9-20(19)28)31(22)18-15-13-17(27)14-16-18/h4-5,8-9,13-16,21,23,32H,2-3,6-7,10-12H2,1H3,(H,29,33)/t21-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50210327
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CSc1ncccc1C(=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:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)| Show InChI InChI=1S/C80H123N27O18S/c1-40(2)31-55(70(119)103-57(33-42(5)6)75(124)107-63(43(7)108)76(125)99-52(16-12-30-94-80(88)89)66(115)98-53(25-26-61(81)111)69(118)97-51(15-11-29-93-79(86)87)67(116)100-54(64(83)113)34-44-17-21-47(109)22-18-44)102-74(123)60(37-62(82)112)106-71(120)56(32-41(3)4)101-72(121)58(35-45-19-23-48(110)24-20-45)104-73(122)59(36-46-38-90-39-95-46)105-68(117)50(14-10-28-92-78(84)85)96-65(114)49-13-9-27-91-77(49)126-8/h9,13,17-24,27,38-43,50-60,63,108-110H,10-12,14-16,25-26,28-37H2,1-8H3,(H2,81,111)(H2,82,112)(H2,83,113)(H,90,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,121)(H,102,123)(H,103,119)(H,104,122)(H,105,117)(H,106,120)(H,107,124)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from human NPY2 |
J Med Chem 50: 2264-8 (2007)
Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319486
(CHEMBL1084893 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C24H23N3O5S/c1-14-19(16(3)32-25-14)12-27-24(18-9-5-7-11-21(18)33(27,30)31)23-15(2)26(13-22(28)29)20-10-6-4-8-17(20)23/h4-11,24H,12-13H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319487
(CHEMBL1084894 | rac-{2-Methyl-3-[2-(3-methyl-5-phe...)Show SMILES Cc1noc(c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C29H25N3O5S/c1-18-23(29(37-30-18)20-10-4-3-5-11-20)16-32-28(22-13-7-9-15-25(22)38(32,35)36)27-19(2)31(17-26(33)34)24-14-8-6-12-21(24)27/h3-15,28H,16-17H2,1-2H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50162903
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium |
Bioorg Med Chem Lett 15: 1749-53 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208976
(CHEMBL395322 | rac-2-(2-chlorophenyl)-1-(4-chlorop...)Show SMILES O[C@H]1[C@H](Cc2ccccc12)NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-22(28-24(30)19-7-3-4-8-20(19)27)25(32)29-21-13-15-5-1-2-6-18(15)23(21)31/h1-12,14,21,23,31H,13H2,(H,29,32)/t21-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208970
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylcyclohe...)Show SMILES CC1CCC(CC1)n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 |(11.36,-34.1,;12.9,-34.14,;13.71,-32.83,;15.24,-32.87,;15.98,-34.23,;15.18,-35.54,;13.64,-35.5,;17.52,-34.26,;18.51,-33.08,;19.93,-33.67,;19.82,-35.2,;18.32,-35.57,;17.51,-36.88,;15.97,-36.82,;15.16,-38.13,;15.89,-39.49,;17.43,-39.53,;18.24,-38.22,;19.78,-38.27,;21.24,-32.86,;21.2,-31.32,;22.6,-33.59,;23.91,-32.78,;25.27,-33.52,;26.58,-32.71,;26.54,-31.17,;25.18,-30.44,;23.86,-31.25,)| Show InChI InChI=1S/C23H30ClN3O/c1-16-11-13-18(14-12-16)27-15-21(23(28)25-17-7-3-2-4-8-17)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-10,15-18H,2-4,7-8,11-14H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50319482
(CHEMBL1082939 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1cn(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C23H21N3O5S/c1-14-18(15(2)31-24-14)12-26-23(17-8-4-6-10-21(17)32(26,29)30)19-11-25(13-22(27)28)20-9-5-3-7-16(19)20/h3-11,23H,12-13H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay |
Bioorg Med Chem Lett 20: 3287-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208979
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1R,2S)-2...)Show SMILES O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197017
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1Cc2ccccc2N1)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](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 |w:41.42,wU:76.79,77.82,4.4,94.97,20.28,61.64,114.117,wD:69.72,8.17,30.39,83.86,53.56,103.106,(13.65,3.52,;13.65,1.98,;14.98,1.21,;12.32,1.21,;12.32,-.33,;10.98,-1.09,;9.64,-.32,;9.64,1.22,;8.32,-1.09,;8.32,-2.63,;9.64,-3.4,;10.98,-2.63,;12.32,-3.4,;12.32,-4.94,;13.63,-5.7,;10.98,-5.71,;9.64,-4.94,;6.98,-.32,;5.65,-1.11,;5.65,-2.65,;4.33,-.34,;4.33,1.2,;5.65,1.97,;7.06,1.34,;8.09,2.49,;7.32,3.82,;5.82,3.51,;2.99,-1.1,;1.65,-.33,;1.65,1.21,;.32,-1.1,;.32,-2.64,;1.65,-3.41,;1.65,-4.95,;2.99,-5.72,;2.99,-7.26,;1.64,-8.02,;4.31,-8.02,;-1.01,-.33,;-2.34,-1.12,;-2.34,-2.66,;-3.66,-.36,;-3.83,1.18,;-5.33,1.49,;-6.09,2.82,;-7.63,2.82,;-8.4,1.48,;-7.63,.16,;-6.1,.16,;-5.07,-.98,;13.65,-1.1,;13.65,-2.64,;14.98,-.32,;16.31,-1.09,;16.31,-2.63,;17.64,-3.4,;18.96,-2.63,;17.64,-4.94,;17.64,-.32,;17.64,1.22,;18.97,-1.09,;20.31,-.33,;20.31,1.21,;21.64,1.98,;21.64,3.52,;22.98,1.21,;21.64,-1.1,;21.64,-2.64,;22.97,-.32,;24.3,-1.09,;24.3,-2.63,;25.63,-3.4,;22.97,-3.4,;25.63,-.32,;25.63,1.22,;26.97,-1.09,;28.3,-.32,;28.3,1.22,;26.97,1.99,;29.63,1.99,;29.63,-1.09,;29.63,-2.63,;30.96,-.32,;32.29,-1.09,;32.29,-2.63,;33.62,-3.4,;33.62,-4.94,;34.96,-5.7,;34.96,-7.24,;33.62,-8.01,;36.29,-8.01,;33.62,-.32,;33.62,1.22,;34.96,-1.08,;36.3,-.32,;36.3,1.22,;37.62,1.99,;37.62,3.53,;36.29,4.3,;38.96,4.3,;37.62,-1.09,;37.62,-2.63,;38.95,-.32,;40.29,-1.09,;40.29,-2.63,;41.62,-3.4,;41.62,-4.94,;42.95,-5.7,;42.95,-7.24,;41.61,-8.01,;44.29,-8.01,;41.62,-.32,;41.62,1.22,;42.95,-1.09,;44.29,-.32,;44.29,1.22,;45.62,1.99,;46.95,1.22,;48.29,1.99,;48.29,3.53,;49.62,4.3,;46.95,4.3,;45.62,3.53,;45.62,-1.09,;46.95,-.32,;45.62,-2.63,)| Show InChI InChI=1S/C81H123N27O18/c1-40(2)31-56(102-72(120)58(34-45-20-24-49(111)25-21-45)104-74(122)60(36-47-38-91-39-95-47)105-69(117)52(16-11-29-93-80(87)88)98-73(121)59-35-46-13-8-9-14-50(46)96-59)71(119)106-61(37-63(83)113)75(123)103-57(32-41(3)4)76(124)107-64(42(5)6)77(125)108-65(43(7)109)78(126)100-53(17-12-30-94-81(89)90)67(115)99-54(26-27-62(82)112)70(118)97-51(15-10-28-92-79(85)86)68(116)101-55(66(84)114)33-44-18-22-48(110)23-19-44/h8-9,13-14,18-25,38-43,51-61,64-65,96,109-111H,10-12,15-17,26-37H2,1-7H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,91,95)(H,97,118)(H,98,121)(H,99,115)(H,100,126)(H,101,116)(H,102,120)(H,103,123)(H,104,122)(H,105,117)(H,106,119)(H,107,124)(H,108,125)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,64+,65+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
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