BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 6618 hits with Last Name = 'jones' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
GALR1


(Homo sapiens (Human))
BDBM50273370
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1/C107H153N27O26/c1-57(2)42-70(123-93(147)71(43-58(3)4)124-95(149)74(47-64-33-35-66(138)36-34-64)121-86(141)52-115-91(145)60(7)118-100(154)78(55-135)128-98(152)77(49-84(109)139)125-94(148)72(44-59(5)6)127-103(157)89(61(8)137)130-99(153)76(119-85(140)50-108)48-65-51-114-68-27-16-15-26-67(65)68)92(146)117-54-88(143)131-38-20-31-82(131)105(159)134-41-21-32-83(134)106(160)133-40-18-29-80(133)101(155)116-53-87(142)120-73(45-62-22-11-9-12-23-62)96(150)129-79(56-136)104(158)132-39-19-30-81(132)102(156)126-75(46-63-24-13-10-14-25-63)97(151)122-69(90(110)144)28-17-37-113-107(111)112/h9-16,22-27,33-36,51,57-61,69-83,89,114,135-138H,17-21,28-32,37-50,52-56,108H2,1-8H3,(H2,109,139)(H2,110,144)(H,115,145)(H,116,155)(H,117,146)(H,118,154)(H,119,140)(H,120,142)(H,121,141)(H,122,151)(H,123,147)(H,124,149)(H,125,148)(H,126,156)(H,127,157)(H,128,152)(H,129,150)(H,130,153)(H4,111,112,113)/t60-,61+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027663
PNG
(1-(9H-Carbazol-4-yloxy)-3-isopropylamino-propan-2-...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.114n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.046
BindingDB Entry DOI: 10.7270/Q2FB52RP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50274012
PNG
(1-tert-Butylamino-3-(dibenzofuran-1-yloxy)-propan-...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12
Show InChI InChI=1/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.145n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.046
BindingDB Entry DOI: 10.7270/Q2FB52RP
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.200n/an/an/a 5.10n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1523-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.007
BindingDB Entry DOI: 10.7270/Q22J6950
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GALR1


(Homo sapiens (Human))
BDBM85070
PNG
(Galanin, Porcine)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(N)=O
Show InChI InChI=1/C146H213N43O40/c1-15-75(10)119(187-123(207)78(13)167-129(213)101(51-84-60-154-68-162-84)182-143(227)110-31-24-42-189(110)116(200)65-161-124(208)93(43-71(2)3)173-130(214)95(45-73(6)7)174-132(216)98(49-82-34-38-88(194)39-35-82)170-114(198)63-159-122(206)77(12)166-141(225)108(66-190)186-137(221)105(55-112(150)196)179-131(215)96(46-74(8)9)183-145(229)120(79(14)192)188-140(224)100(168-113(197)58-148)50-83-59-158-90-28-20-19-27-89(83)90)144(228)184-107(57-118(203)204)139(223)180-104(54-111(149)195)136(220)178-102(52-85-61-155-69-163-85)134(218)172-92(30-23-41-157-146(152)153)127(211)185-109(67-191)142(226)176-99(47-80-25-17-16-18-26-80)133(217)177-103(53-86-62-156-70-164-86)135(219)181-106(56-117(201)202)138(222)171-91(29-21-22-40-147)126(210)175-97(48-81-32-36-87(193)37-33-81)125(209)160-64-115(199)169-94(44-72(4)5)128(212)165-76(11)121(151)205/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,158,190-194H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,195)(H2,150,196)(H2,151,205)(H,154,162)(H,155,163)(H,156,164)(H,159,206)(H,160,209)(H,161,208)(H,165,212)(H,166,225)(H,167,213)(H,168,197)(H,169,199)(H,170,198)(H,171,222)(H,172,218)(H,173,214)(H,174,216)(H,175,210)(H,176,226)(H,177,217)(H,178,220)(H,179,215)(H,180,223)(H,181,219)(H,182,227)(H,183,229)(H,184,228)(H,185,211)(H,186,221)(H,187,207)(H,188,224)(H,201,202)(H,203,204)(H4,152,153,157)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM85073
PNG
(CAS_3043476 | Galantide (M15) | NSC_3043476)
Show SMILES COc1ccccc1N(CCOc1ccc(C)cc1)C(=O)CN1CCCCC1
Show InChI InChI=1S/C23H30N2O3/c1-19-10-12-20(13-11-19)28-17-16-25(21-8-4-5-9-22(21)27-2)23(26)18-24-14-6-3-7-15-24/h4-5,8-13H,3,6-7,14-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM85168
PNG
(M32)
Show SMILES CC[C@H](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)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C136H209N41O34/c1-16-70(11)108(130(208)171-99(58-104(140)186)123(201)166-93(51-69(9)10)125(203)174-109(71(12)17-2)131(209)176-111(74(15)180)132(210)162-87(28-22-46-151-136(146)147)115(193)160-88(42-43-102(138)184)118(196)159-85(26-20-44-149-134(142)143)116(194)163-89(112(141)190)52-75-30-36-80(181)37-31-75)173-126(204)95(54-77-34-40-82(183)41-35-77)167-122(200)97(56-79-61-148-65-155-79)168-117(195)86(27-21-45-150-135(144)145)161-129(207)101-29-23-47-177(101)107(189)63-154-114(192)90(48-66(3)4)164-119(197)91(49-67(5)6)165-121(199)94(53-76-32-38-81(182)39-33-76)158-106(188)62-153-113(191)72(13)156-128(206)100(64-178)172-124(202)98(57-103(139)185)169-120(198)92(50-68(7)8)170-133(211)110(73(14)179)175-127(205)96(157-105(187)59-137)55-78-60-152-84-25-19-18-24-83(78)84/h18-19,24-25,30-41,60-61,65-74,85-101,108-111,152,178-183H,16-17,20-23,26-29,42-59,62-64,137H2,1-15H3,(H2,138,184)(H2,139,185)(H2,140,186)(H2,141,190)(H,148,155)(H,153,191)(H,154,192)(H,156,206)(H,157,187)(H,158,188)(H,159,196)(H,160,193)(H,161,207)(H,162,210)(H,163,194)(H,164,197)(H,165,199)(H,166,201)(H,167,200)(H,168,195)(H,169,198)(H,170,211)(H,171,208)(H,172,202)(H,173,204)(H,174,203)(H,175,205)(H,176,209)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t70-,71-,72-,73+,74+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,109-,110-,111-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM85200
PNG
(Galanin (1-19), rat | Galanin rat)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1/C92H135N27O26/c1-12-46(8)75(91(144)115-66(33-74(128)129)87(140)112-64(31-69(94)123)85(138)108-57(77(96)130)29-52-36-97-41-102-52)117-79(132)48(10)105-81(134)63(30-53-37-98-42-103-53)113-90(143)68-18-15-23-119(68)73(127)39-101-80(133)58(24-43(2)3)109-82(135)59(25-44(4)5)110-84(137)61(27-50-19-21-54(122)22-20-50)107-72(126)38-100-78(131)47(9)104-89(142)67(40-120)116-86(139)65(32-70(95)124)111-83(136)60(26-45(6)7)114-92(145)76(49(11)121)118-88(141)62(106-71(125)34-93)28-51-35-99-56-17-14-13-16-55(51)56/h13-14,16-17,19-22,35-37,41-49,57-68,75-76,99,120-122H,12,15,18,23-34,38-40,93H2,1-11H3,(H2,94,123)(H2,95,124)(H2,96,130)(H,97,102)(H,98,103)(H,100,131)(H,101,133)(H,104,142)(H,105,134)(H,106,125)(H,107,126)(H,108,138)(H,109,135)(H,110,137)(H,111,136)(H,112,140)(H,113,143)(H,114,145)(H,115,144)(H,116,139)(H,117,132)(H,118,141)(H,128,129)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM50273370
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1/C107H153N27O26/c1-57(2)42-70(123-93(147)71(43-58(3)4)124-95(149)74(47-64-33-35-66(138)36-34-64)121-86(141)52-115-91(145)60(7)118-100(154)78(55-135)128-98(152)77(49-84(109)139)125-94(148)72(44-59(5)6)127-103(157)89(61(8)137)130-99(153)76(119-85(140)50-108)48-65-51-114-68-27-16-15-26-67(65)68)92(146)117-54-88(143)131-38-20-31-82(131)105(159)134-41-21-32-83(134)106(160)133-40-18-29-80(133)101(155)116-53-87(142)120-73(45-62-22-11-9-12-23-62)96(150)129-79(56-136)104(158)132-39-19-30-81(132)102(156)126-75(46-63-24-13-10-14-25-63)97(151)122-69(90(110)144)28-17-37-113-107(111)112/h9-16,22-27,33-36,51,57-61,69-83,89,114,135-138H,17-21,28-32,37-50,52-56,108H2,1-8H3,(H2,109,139)(H2,110,144)(H,115,145)(H,116,155)(H,117,146)(H,118,154)(H,119,140)(H,120,142)(H,121,141)(H,122,151)(H,123,147)(H,124,149)(H,125,148)(H,126,156)(H,127,157)(H,128,152)(H,129,150)(H,130,153)(H4,111,112,113)/t60-,61+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 272: 24612-6 (1997)


Article DOI: 10.1074/jbc.272.39.24612
BindingDB Entry DOI: 10.7270/Q2BC3X2Q
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.300 -56.5n/an/a 5.70n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50274013
PNG
(1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-1H-indo...)
Show SMILES Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
Show InChI InChI=1/C29H33N3O2/c1-22-19-30-26-13-8-14-27(28(22)26)34-21-25(33)20-31-15-17-32(18-16-31)29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,25,29-30,33H,15-18,20-21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.311n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.046
BindingDB Entry DOI: 10.7270/Q2FB52RP
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85070
PNG
(Galanin, Porcine)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(N)=O
Show InChI InChI=1/C146H213N43O40/c1-15-75(10)119(187-123(207)78(13)167-129(213)101(51-84-60-154-68-162-84)182-143(227)110-31-24-42-189(110)116(200)65-161-124(208)93(43-71(2)3)173-130(214)95(45-73(6)7)174-132(216)98(49-82-34-38-88(194)39-35-82)170-114(198)63-159-122(206)77(12)166-141(225)108(66-190)186-137(221)105(55-112(150)196)179-131(215)96(46-74(8)9)183-145(229)120(79(14)192)188-140(224)100(168-113(197)58-148)50-83-59-158-90-28-20-19-27-89(83)90)144(228)184-107(57-118(203)204)139(223)180-104(54-111(149)195)136(220)178-102(52-85-61-155-69-163-85)134(218)172-92(30-23-41-157-146(152)153)127(211)185-109(67-191)142(226)176-99(47-80-25-17-16-18-26-80)133(217)177-103(53-86-62-156-70-164-86)135(219)181-106(56-117(201)202)138(222)171-91(29-21-22-40-147)126(210)175-97(48-81-32-36-87(193)37-33-81)125(209)160-64-115(199)169-94(44-72(4)5)128(212)165-76(11)121(151)205/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,158,190-194H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,195)(H2,150,196)(H2,151,205)(H,154,162)(H,155,163)(H,156,164)(H,159,206)(H,160,209)(H,161,208)(H,165,212)(H,166,225)(H,167,213)(H,168,197)(H,169,199)(H,170,198)(H,171,222)(H,172,218)(H,173,214)(H,174,216)(H,175,210)(H,176,226)(H,177,217)(H,178,220)(H,179,215)(H,180,223)(H,181,219)(H,182,227)(H,183,229)(H,184,228)(H,185,211)(H,186,221)(H,187,207)(H,188,224)(H,201,202)(H,203,204)(H4,152,153,157)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM50273370
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1/C107H153N27O26/c1-57(2)42-70(123-93(147)71(43-58(3)4)124-95(149)74(47-64-33-35-66(138)36-34-64)121-86(141)52-115-91(145)60(7)118-100(154)78(55-135)128-98(152)77(49-84(109)139)125-94(148)72(44-59(5)6)127-103(157)89(61(8)137)130-99(153)76(119-85(140)50-108)48-65-51-114-68-27-16-15-26-67(65)68)92(146)117-54-88(143)131-38-20-31-82(131)105(159)134-41-21-32-83(134)106(160)133-40-18-29-80(133)101(155)116-53-87(142)120-73(45-62-22-11-9-12-23-62)96(150)129-79(56-136)104(158)132-39-19-30-81(132)102(156)126-75(46-63-24-13-10-14-25-63)97(151)122-69(90(110)144)28-17-37-113-107(111)112/h9-16,22-27,33-36,51,57-61,69-83,89,114,135-138H,17-21,28-32,37-50,52-56,108H2,1-8H3,(H2,109,139)(H2,110,144)(H,115,145)(H,116,155)(H,117,146)(H,118,154)(H,119,140)(H,120,142)(H,121,141)(H,122,151)(H,123,147)(H,124,149)(H,125,148)(H,126,156)(H,127,157)(H,128,152)(H,129,150)(H,130,153)(H4,111,112,113)/t60-,61+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062432
PNG
(5-(3-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(Cl)c4)c3c12
Show InChI InChI=1/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062432
PNG
(5-(3-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(Cl)c4)c3c12
Show InChI InChI=1/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062443
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)cc4)c3c12
Show InChI InChI=1/C25H21ClFNO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1/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/t14-,18+,19-,20-,22+,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129152
PNG
((6S,8S,10R,14S,15S)-17-Acetyl-6,10-dimethyl-13-(R)...)
Show SMILES C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C25H36O3/c1-15-12-19-20(23(4)9-6-18(28)13-22(15)23)7-10-24(5)21(19)8-11-25(24,17(3)27)14-16(2)26/h13,15,19-21H,6-12,14H2,1-5H3/t15-,19?,20-,21-,23+,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


Bioorg Med Chem Lett 13: 2071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00255-5
BindingDB Entry DOI: 10.7270/Q2SX6DSM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1/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/t14-,18+,19-,20-,22+,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


Article DOI: 10.1016/s0960-894x(98)00608-8
BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1/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/t14-,18+,19-,20-,22+,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1/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/t14-,18+,19-,20-,22+,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85200
PNG
(Galanin (1-19), rat | Galanin rat)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1/C92H135N27O26/c1-12-46(8)75(91(144)115-66(33-74(128)129)87(140)112-64(31-69(94)123)85(138)108-57(77(96)130)29-52-36-97-41-102-52)117-79(132)48(10)105-81(134)63(30-53-37-98-42-103-53)113-90(143)68-18-15-23-119(68)73(127)39-101-80(133)58(24-43(2)3)109-82(135)59(25-44(4)5)110-84(137)61(27-50-19-21-54(122)22-20-50)107-72(126)38-100-78(131)47(9)104-89(142)67(40-120)116-86(139)65(32-70(95)124)111-83(136)60(26-45(6)7)114-92(145)76(49(11)121)118-88(141)62(106-71(125)34-93)28-51-35-99-56-17-14-13-16-55(51)56/h13-14,16-17,19-22,35-37,41-49,57-68,75-76,99,120-122H,12,15,18,23-34,38-40,93H2,1-11H3,(H2,94,123)(H2,95,124)(H2,96,130)(H,97,102)(H,98,103)(H,100,131)(H,101,133)(H,104,142)(H,105,134)(H,106,125)(H,107,126)(H,108,138)(H,109,135)(H,110,137)(H,111,136)(H,112,140)(H,113,143)(H,114,145)(H,115,144)(H,116,139)(H,117,132)(H,118,141)(H,128,129)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1/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/t14-,18+,19-,20-,22+,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062444
PNG
(9-Chloro-5-(3-fluoro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(F)c4)c3c12
Show InChI InChI=1/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-16(26)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-17(27)11-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1/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/t14-,18+,19-,20-,22+,23-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor


J Med Chem 41: 4354-9 (1998)


Article DOI: 10.1021/jm980366a
BindingDB Entry DOI: 10.7270/Q2V40TB5
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062427
PNG
(9-Fluoro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(C)c4)c3c12
Show InChI InChI=1/C26H24FNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50065585
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12
Show InChI InChI=1/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062415
PNG
(5-(4-Chloro-3-fluoro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(F)c4)c3c12
Show InChI InChI=1/C25H21ClFNO/c1-14-13-25(2,3)28-20-11-9-17-16-6-4-5-7-21(16)29-24(23(17)22(14)20)15-8-10-18(26)19(27)12-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50133141
PNG
(9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-2-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12
Show InChI InChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.420n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062406
PNG
(5-(3-Chloro-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Cl)c4)c3c12
Show InChI InChI=1/C25H22ClNO/c1-15-14-25(2,3)27-20-12-11-19-18-9-4-5-10-21(18)28-24(23(19)22(15)20)16-7-6-8-17(26)13-16/h4-14,24,27H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


Article DOI: 10.1016/s0960-894x(98)00608-8
BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM85072
PNG
(Galanin, Human)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Peptides 19: 1771-81 (1998)


Article DOI: 10.1111/cbdd.12604
BindingDB Entry DOI: 10.7270/Q2NC5ZQ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062430
PNG
(9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12
Show InChI InChI=1/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062430
PNG
(9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12
Show InChI InChI=1/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062429
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12
Show InChI InChI=1/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062429
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12
Show InChI InChI=1/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85169
PNG
(Galanin (1-29), porcine | Galanin [D-Trp2], porcin...)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1/C144H210N42O39/c1-14-75(10)118(142(224)181-106(57-117(200)201)137(219)177-103(54-110(147)192)134(216)175-101(52-84-61-153-69-161-84)132(214)169-91(29-22-42-155-144(150)151)126(208)182-108(67-188)140(222)173-98(48-80-24-16-15-17-25-80)131(213)174-102(53-85-62-154-70-162-85)133(215)178-105(56-116(198)199)136(218)168-90(28-20-21-41-145)125(207)170-92(40-35-79-31-36-86(190)37-32-79)123(205)158-64-113(195)165-93(120(149)202)44-71(2)3)184-122(204)77(12)164-127(209)100(51-83-60-152-68-160-83)179-141(223)109-30-23-43-186(109)115(197)65-159-124(206)94(45-72(4)5)171-128(210)95(46-73(6)7)172-130(212)97(49-81-33-38-87(191)39-34-81)167-114(196)63-157-121(203)76(11)163-139(221)107(66-187)183-135(217)104(55-111(148)193)176-129(211)96(47-74(8)9)180-143(225)119(78(13)189)185-138(220)99(166-112(194)58-146)50-82-59-156-89-27-19-18-26-88(82)89/h15-19,24-27,31-34,36-39,59-62,68-78,90-109,118-119,156,187-191H,14,20-23,28-30,35,40-58,63-67,145-146H2,1-13H3,(H2,147,192)(H2,148,193)(H2,149,202)(H,152,160)(H,153,161)(H,154,162)(H,157,203)(H,158,205)(H,159,206)(H,163,221)(H,164,209)(H,165,195)(H,166,194)(H,167,196)(H,168,218)(H,169,214)(H,170,207)(H,171,210)(H,172,212)(H,173,222)(H,174,213)(H,175,216)(H,176,211)(H,177,219)(H,178,215)(H,179,223)(H,180,225)(H,181,224)(H,182,208)(H,183,217)(H,184,204)(H,185,220)(H,198,199)(H,200,201)(H4,150,151,155)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 272: 24612-6 (1997)


Article DOI: 10.1074/jbc.272.39.24612
BindingDB Entry DOI: 10.7270/Q2BC3X2Q
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062439
PNG
(9-Chloro-5-(4-chloro-3-methyl-phenyl)-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12
Show InChI InChI=1/C26H23Cl2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85169
PNG
(Galanin (1-29), porcine | Galanin [D-Trp2], porcin...)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1/C144H210N42O39/c1-14-75(10)118(142(224)181-106(57-117(200)201)137(219)177-103(54-110(147)192)134(216)175-101(52-84-61-153-69-161-84)132(214)169-91(29-22-42-155-144(150)151)126(208)182-108(67-188)140(222)173-98(48-80-24-16-15-17-25-80)131(213)174-102(53-85-62-154-70-162-85)133(215)178-105(56-116(198)199)136(218)168-90(28-20-21-41-145)125(207)170-92(40-35-79-31-36-86(190)37-32-79)123(205)158-64-113(195)165-93(120(149)202)44-71(2)3)184-122(204)77(12)164-127(209)100(51-83-60-152-68-160-83)179-141(223)109-30-23-43-186(109)115(197)65-159-124(206)94(45-72(4)5)171-128(210)95(46-73(6)7)172-130(212)97(49-81-33-38-87(191)39-34-81)167-114(196)63-157-121(203)76(11)163-139(221)107(66-187)183-135(217)104(55-111(148)193)176-129(211)96(47-74(8)9)180-143(225)119(78(13)189)185-138(220)99(166-112(194)58-146)50-82-59-156-89-27-19-18-26-88(82)89/h15-19,24-27,31-34,36-39,59-62,68-78,90-109,118-119,156,187-191H,14,20-23,28-30,35,40-58,63-67,145-146H2,1-13H3,(H2,147,192)(H2,148,193)(H2,149,202)(H,152,160)(H,153,161)(H,154,162)(H,157,203)(H,158,205)(H,159,206)(H,163,221)(H,164,209)(H,165,195)(H,166,194)(H,167,196)(H,168,218)(H,169,214)(H,170,207)(H,171,210)(H,172,212)(H,173,222)(H,174,213)(H,175,216)(H,176,211)(H,177,219)(H,178,215)(H,179,223)(H,180,225)(H,181,224)(H,182,208)(H,183,217)(H,184,204)(H,185,220)(H,198,199)(H,200,201)(H4,150,151,155)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 272: 24612-6 (1997)


Article DOI: 10.1074/jbc.272.39.24612
BindingDB Entry DOI: 10.7270/Q2BC3X2Q
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062439
PNG
(9-Chloro-5-(4-chloro-3-methyl-phenyl)-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12
Show InChI InChI=1/C26H23Cl2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062409
PNG
(5-(4-Bromo-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12
Show InChI InChI=1/C25H22BrNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062438
PNG
(9-Chloro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(C)c4)c3c12
Show InChI InChI=1/C26H24ClNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50133131
PNG
(9-Fluoro-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-yli...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12
Show InChI InChI=1S/C27H24FNO/c1-16-7-5-6-8-18(16)13-24-26-20(21-14-19(28)9-12-23(21)30-24)10-11-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM85068
PNG
(Gal(1-13)-Std I)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.560n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 273: 23321-6 (1998)


Article DOI: 10.1074/jbc.273.36.23321
BindingDB Entry DOI: 10.7270/Q22N50TF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity determined for human Progesterone receptor A isoform


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50062445
PNG
(5-(4-Bromo-phenyl)-9-chloro-2,2,4-trimethyl-2,5-di...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Br)cc4)c3c12
Show InChI InChI=1/C25H21BrClNO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50133135
PNG
(9-Fluoro-2,2,4-trimethyl-5-[1-(2-methylsulfanyl-ph...)
Show SMILES CSc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C27H24FNOS/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-22(20)30-23(26(19)25(16)21)13-17-7-5-6-8-24(17)31-4/h5-15,29H,1-4H3/b23-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062442
PNG
(9-Chloro-5-(4-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)cc4)c3c12
Show InChI InChI=1/C25H21Cl2NO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM85168
PNG
(M32)
Show SMILES CC[C@H](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)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C136H209N41O34/c1-16-70(11)108(130(208)171-99(58-104(140)186)123(201)166-93(51-69(9)10)125(203)174-109(71(12)17-2)131(209)176-111(74(15)180)132(210)162-87(28-22-46-151-136(146)147)115(193)160-88(42-43-102(138)184)118(196)159-85(26-20-44-149-134(142)143)116(194)163-89(112(141)190)52-75-30-36-80(181)37-31-75)173-126(204)95(54-77-34-40-82(183)41-35-77)167-122(200)97(56-79-61-148-65-155-79)168-117(195)86(27-21-45-150-135(144)145)161-129(207)101-29-23-47-177(101)107(189)63-154-114(192)90(48-66(3)4)164-119(197)91(49-67(5)6)165-121(199)94(53-76-32-38-81(182)39-33-76)158-106(188)62-153-113(191)72(13)156-128(206)100(64-178)172-124(202)98(57-103(139)185)169-120(198)92(50-68(7)8)170-133(211)110(73(14)179)175-127(205)96(157-105(187)59-137)55-78-60-152-84-25-19-18-24-83(78)84/h18-19,24-25,30-41,60-61,65-74,85-101,108-111,152,178-183H,16-17,20-23,26-29,42-59,62-64,137H2,1-15H3,(H2,138,184)(H2,139,185)(H2,140,186)(H2,141,190)(H,148,155)(H,153,191)(H,154,192)(H,156,206)(H,157,187)(H,158,188)(H,159,196)(H,160,193)(H,161,207)(H,162,210)(H,163,194)(H,164,197)(H,165,199)(H,166,201)(H,167,200)(H,168,195)(H,169,198)(H,170,211)(H,171,208)(H,172,202)(H,173,204)(H,174,203)(H,175,205)(H,176,209)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t70-,71-,72-,73+,74+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,109-,110-,111-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 272: 24612-6 (1997)


Article DOI: 10.1074/jbc.272.39.24612
BindingDB Entry DOI: 10.7270/Q2BC3X2Q
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 6618 total )  |  Next  |  Last  >>
Jump to: