Found 287 hits with Last Name = 'masuda' and Initial = 'n' 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50005414
((estradiol)13-Methyl-7,8,9,11,12,13,14,15,16,17-de...)Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50091652
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)Show SMILES CC(C)C[C@H](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)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50091652
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)Show SMILES CC(C)C[C@H](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)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50091652
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)Show SMILES CC(C)C[C@H](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)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM86732
(3-(5,6,7,8-tetrahydro-9-isopropyl-carbazol-3-yl)-1...)Show SMILES CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12 Show InChI InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025452
((testosterone)17-Hydroxy-10,13-dimethyl-1,2,6,7,8,...)Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM86680
(CAS_4042 | Mpa | NSC_4042)Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM86680
(CAS_4042 | Mpa | NSC_4042)Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM86733
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8| Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3 | KEGG
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM86678
(CP8816)Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5| Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM86679
(CP8863)Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM86680
(CAS_4042 | Mpa | NSC_4042)Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM86678
(CP8816)Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5| Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1 | PDB
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM86679
(CP8863)Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1 | PDB
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| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM86732
(3-(5,6,7,8-tetrahydro-9-isopropyl-carbazol-3-yl)-1...)Show SMILES CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12 Show InChI InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM86678
(CP8816)Show SMILES COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5| Show InChI InChI=1S/C20H28N2O4/c1-11-17-12(2)20(3)10-16(26-19(24)21(4)5)15(25-7)9-13(20)8-14(17)22(6)18(11)23/h8-9,12,15-16H,10H2,1-7H3/t12-,15?,16?,20+/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM86733
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8| Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM86679
(CP8863)Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM86733
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8| Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 562-70 (2006)
Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM86680
(CAS_4042 | Mpa | NSC_4042)Show SMILES CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM86679
(CP8863)Show SMILES CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22| Show InChI InChI=1S/C18H24N2O4/c1-9-15-10(2)18(3)8-14(24-17(23)19-4)13(21)7-11(18)6-12(15)20(5)16(9)22/h6-7,10,13-14,21H,8H2,1-5H3,(H,19,23)/t10-,13?,14?,18+/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 916-20 (2005)
Article DOI: 10.1124/jpet.104.074146
BindingDB Entry DOI: 10.7270/Q24T6GZR |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50520336
(CHEMBL4470042)Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1 Show InChI InChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,27H,7-8H2,1-2H3 | PDB
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Reactome pathway
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti... |
Bioorg Med Chem 27: 3692-3706 (2019)
Article DOI: 10.1016/j.bmc.2019.07.010
BindingDB Entry DOI: 10.7270/Q2MK6H9K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM1434
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) | PDB
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| MMDB
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Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 12: 6171-82 (2004)
Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50521882
(CHEMBL4469155)Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1 Show InChI InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3 | PDB
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Reactome pathway
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| PC cid
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| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti... |
Bioorg Med Chem 27: 3692-3706 (2019)
Article DOI: 10.1016/j.bmc.2019.07.010
BindingDB Entry DOI: 10.7270/Q2MK6H9K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
(Human immunodeficiency virus type 1) | BDBM2483
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 | PDB
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| MMDB
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Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 12: 6171-82 (2004)
Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
(Human immunodeficiency virus type 1) | BDBM2483
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 | PDB
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| MMDB
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Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5052
(5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13- | PDB
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50019121
(CHEMBL3288416)Show SMILES COc1ccc2n(c(CCn3c4ncccc4n(C)c3=O)nc2c1)-c1ccccc1 Show InChI InChI=1S/C23H21N5O2/c1-26-20-9-6-13-24-22(20)27(23(26)29)14-12-21-25-18-15-17(30-2)10-11-19(18)28(21)16-7-4-3-5-8-16/h3-11,13,15H,12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ... |
Bioorg Med Chem 22: 3515-26 (2014)
Article DOI: 10.1016/j.bmc.2014.04.023
BindingDB Entry DOI: 10.7270/Q2RN39D7 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM2483
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 12: 6171-82 (2004)
Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM2483
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50019126
(CHEMBL3288421)Show SMILES COc1cccc2n(c(CCn3c4ncccc4n(C)c3=O)nc12)-c1ccccc1 Show InChI InChI=1S/C23H21N5O2/c1-26-18-11-7-14-24-22(18)27(23(26)29)15-13-20-25-21-17(10-6-12-19(21)30-2)28(20)16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ... |
Bioorg Med Chem 22: 3515-26 (2014)
Article DOI: 10.1016/j.bmc.2014.04.023
BindingDB Entry DOI: 10.7270/Q2RN39D7 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50019118
(CHEMBL3288413)Show SMILES Cc1nn(CCc2nc3cc(C)ccc3n2-c2ccccc2)c2ncccc12 Show InChI InChI=1S/C23H21N5/c1-16-10-11-21-20(15-16)25-22(28(21)18-7-4-3-5-8-18)12-14-27-23-19(17(2)26-27)9-6-13-24-23/h3-11,13,15H,12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ... |
Bioorg Med Chem 22: 3515-26 (2014)
Article DOI: 10.1016/j.bmc.2014.04.023
BindingDB Entry DOI: 10.7270/Q2RN39D7 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50521887
(CHEMBL4459939)Show SMILES C[C@H]1Cn2c(nc3ccccc23)N1C(=O)Cc1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C19H19N7O/c1-11-9-20-13(3)18-22-16(23-26(11)18)8-17(27)25-12(2)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-7,9,12H,8,10H2,1-3H3/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti... |
Bioorg Med Chem 27: 3692-3706 (2019)
Article DOI: 10.1016/j.bmc.2019.07.010
BindingDB Entry DOI: 10.7270/Q2MK6H9K |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5054
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-1,3-thia...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl Show InChI InChI=1S/C14H13Cl2N3O2S2/c1-8(2)12-13(16)19(3)14(22-12)18-23(20,21)11-6-10(15)5-4-9(11)7-17/h4-6,8H,1-3H3/b18-14- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50019117
(CHEMBL3288412)Show SMILES Cc1nc(CCc2nc3cc(C)ccc3n2-c2ccccc2)n2ncccc12 Show InChI InChI=1S/C23H21N5/c1-16-10-11-21-19(15-16)26-22(27(21)18-7-4-3-5-8-18)12-13-23-25-17(2)20-9-6-14-24-28(20)23/h3-11,14-15H,12-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ... |
Bioorg Med Chem 22: 3515-26 (2014)
Article DOI: 10.1016/j.bmc.2014.04.023
BindingDB Entry DOI: 10.7270/Q2RN39D7 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50019119
(CHEMBL3288414)Show SMILES Cc1ccc2n(c(CCn3c4ncccc4n(C)c3=O)nc2c1)-c1ccccc1 Show InChI InChI=1S/C23H21N5O/c1-16-10-11-19-18(15-16)25-21(28(19)17-7-4-3-5-8-17)12-14-27-22-20(9-6-13-24-22)26(2)23(27)29/h3-11,13,15H,12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ... |
Bioorg Med Chem 22: 3515-26 (2014)
Article DOI: 10.1016/j.bmc.2014.04.023
BindingDB Entry DOI: 10.7270/Q2RN39D7 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5051
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50019129
(CHEMBL3288424)Show SMILES COc1ccnc2n(c(CCn3c4nccc(C)c4n(C)c3=O)nc12)-c1ccccc1 Show InChI InChI=1S/C23H22N6O2/c1-15-9-12-25-22-20(15)27(2)23(30)28(22)14-11-18-26-19-17(31-3)10-13-24-21(19)29(18)16-7-5-4-6-8-16/h4-10,12-13H,11,14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ... |
Bioorg Med Chem 22: 3515-26 (2014)
Article DOI: 10.1016/j.bmc.2014.04.023
BindingDB Entry DOI: 10.7270/Q2RN39D7 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5055
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
(Human immunodeficiency virus type 1) | BDBM5041
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C Show InChI InChI=1S/C15H19ClN2O3S2/c1-9-13(15(2,3)4)22-14(18(9)5)17-23(20,21)12-8-10(16)6-7-11(12)19/h6-8,19H,1-5H3/b17-14- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5048
(5-Chloro-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-t...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C Show InChI InChI=1S/C15H16ClN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5053
(2,5-dicyano-N-[(2Z)-3,4-dimethyl-5-(propan-2-yl)-2...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C Show InChI InChI=1S/C16H16N4O2S2/c1-10(2)15-11(3)20(4)16(23-15)19-24(21,22)14-7-12(8-17)5-6-13(14)9-18/h5-7,10H,1-4H3/b19-16- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
(Human immunodeficiency virus type 1) | BDBM5052
(5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027]/[588-1147]
(Human immunodeficiency virus type 1) | BDBM5050
(5-Bromo-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-th...)Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C Show InChI InChI=1S/C15H16BrN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 13: 949-61 (2005)
Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50243945
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding |
Bioorg Med Chem 17: 64-73 (2008)
Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50265669
((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31) | UniProtKB/SwissProt
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis |
Bioorg Med Chem 17: 64-73 (2008)
Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Mus musculus) | BDBM50265742
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31) | KEGG
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Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis |
Bioorg Med Chem 17: 64-73 (2008)
Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50244380
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29) | UniProtKB/SwissProt
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Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding |
Bioorg Med Chem 17: 64-73 (2008)
Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]
(Human immunodeficiency virus type 1) | BDBM2483
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd
| Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem 12: 6171-82 (2004)
Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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