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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50000241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50333671
PNG
(CHEMBL1643388)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C
Show InChI InChI=1S/C143H244N50O42S4/c1-13-76(10)112-137(232)189-99(68-199)131(226)188-98(67-198)130(225)187-97(66-197)129(224)186-96(65-196)117(212)166-59-105(202)169-90(52-72(2)3)114(209)163-61-107(204)171-100(132(227)177-83(32-19-22-44-146)124(219)190-111(75(8)9)136(231)184-91(53-73(4)5)127(222)175-84(34-24-46-159-141(151)152)121(216)174-85(35-25-47-160-142(153)154)122(217)185-94(139(234)235)55-78-57-157-71-167-78)69-238-239-70-101(172-108(205)62-165-116(211)95(64-195)170-106(203)60-162-113(208)87(38-39-103(148)200)181-135(230)110(74(6)7)191-126(221)89(41-51-237-12)179-120(215)82(31-18-21-43-145)180-134(229)102-37-27-49-193(102)138(233)79(147)63-194)133(228)182-92(54-77-28-15-14-16-29-77)115(210)164-58-104(201)168-80(33-23-45-158-140(149)150)118(213)173-81(30-17-20-42-144)119(214)178-88(40-50-236-11)123(218)183-93(56-109(206)207)128(223)176-86(125(220)192-112)36-26-48-161-143(155)156/h14-16,28-29,57,71-76,79-102,110-112,194-199H,13,17-27,30-56,58-70,144-147H2,1-12H3,(H2,148,200)(H,157,167)(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,213)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,214)(H,179,215)(H,180,229)(H,181,230)(H,182,228)(H,183,218)(H,184,231)(H,185,217)(H,186,224)(H,187,225)(H,188,226)(H,189,232)(H,190,219)(H,191,221)(H,192,220)(H,206,207)(H,234,235)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting


Bioorg Med Chem 19: 798-806 (2011)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50333672
PNG
(CHEMBL1643389)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)c(c2)\N=N\c2ccc(C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)cc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C
Show InChI InChI=1S/C155H252N52O43S2/c1-13-83(10)124-149(247)201-112(77-213)145(243)200-111(76-212)144(242)199-110(75-211)143(241)198-109(74-210)129(227)178-69-117(217)181-101(58-79(2)3)126(224)175-68-118(218)182-104(140(238)187-93(32-19-22-50-158)136(234)202-123(82(8)9)148(246)196-102(59-80(4)5)139(237)188-94(34-24-52-171-153(163)164)133(231)186-95(35-25-53-172-154(165)166)134(232)197-107(151(249)250)64-88-66-169-78-179-88)61-85-38-41-87(42-39-85)205-206-100-62-86(40-44-114(100)214)63-105(183-119(219)70-177-128(226)108(73-209)184-120(220)71-174-125(223)97(43-45-115(160)215)193-147(245)122(81(6)7)203-138(236)99(47-57-252-12)191-132(230)92(31-18-21-49-157)192-146(244)113-37-27-55-207(113)150(248)89(159)72-208)141(239)194-103(60-84-28-15-14-16-29-84)127(225)176-67-116(216)180-90(33-23-51-170-152(161)162)130(228)185-91(30-17-20-48-156)131(229)190-98(46-56-251-11)135(233)195-106(65-121(221)222)142(240)189-96(137(235)204-124)36-26-54-173-155(167)168/h14-16,28-29,38-42,44,62,66,78-83,89-99,101-113,122-124,208-214H,13,17-27,30-37,43,45-61,63-65,67-77,156-159H2,1-12H3,(H2,160,215)(H,169,179)(H,174,223)(H,175,224)(H,176,225)(H,177,226)(H,178,227)(H,180,216)(H,181,217)(H,182,218)(H,183,219)(H,184,220)(H,185,228)(H,186,231)(H,187,238)(H,188,237)(H,189,240)(H,190,229)(H,191,230)(H,192,244)(H,193,245)(H,194,239)(H,195,233)(H,196,246)(H,197,232)(H,198,241)(H,199,242)(H,200,243)(H,201,247)(H,202,234)(H,203,236)(H,204,235)(H,221,222)(H,249,250)(H4,161,162,170)(H4,163,164,171)(H4,165,166,172)(H4,167,168,173)/t83-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting


Bioorg Med Chem 19: 798-806 (2011)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50333673
PNG
(CHEMBL1643390)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H]1Cc2ccc(cc2)\N=N\c2nc[nH]c2C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)C(C)C)C(O)=O
Show InChI InChI=1S/C150H250N52O43S2/c1-14-79(10)117(143(241)195-106(73-208)139(237)194-105(72-207)138(236)193-104(71-206)137(235)192-103(70-205)124(222)171-65-110(212)176-96(57-75(2)3)121(219)169-64-111(213)177-99-60-82-39-41-83(42-40-82)200-201-119-95(173-74-174-119)61-101(146(244)245)191-129(227)90(36-26-52-166-149(160)161)180-128(226)89(35-25-51-165-148(158)159)182-134(232)97(58-76(4)5)189-142(240)116(78(8)9)197-131(229)88(181-135(99)233)33-20-23-49-153)199-132(230)91(37-27-53-167-150(162)163)183-136(234)100(62-114(216)217)188-130(228)93(45-55-246-12)184-126(224)86(31-18-21-47-151)179-125(223)85(34-24-50-164-147(156)157)175-109(211)63-170-122(220)98(59-81-29-16-15-17-30-81)190-144(242)118(80(11)209)196-113(215)67-172-123(221)102(69-204)178-112(214)66-168-120(218)92(43-44-108(155)210)187-141(239)115(77(6)7)198-133(231)94(46-56-247-13)185-127(225)87(32-19-22-48-152)186-140(238)107-38-28-54-202(107)145(243)84(154)68-203/h15-17,29-30,39-42,74-80,84-94,96-107,115-118,203-209H,14,18-28,31-38,43-73,151-154H2,1-13H3,(H2,155,210)(H,168,218)(H,169,219)(H,170,220)(H,171,222)(H,172,221)(H,173,174)(H,175,211)(H,176,212)(H,177,213)(H,178,214)(H,179,223)(H,180,226)(H,181,233)(H,182,232)(H,183,234)(H,184,224)(H,185,225)(H,186,238)(H,187,239)(H,188,228)(H,189,240)(H,190,242)(H,191,227)(H,192,235)(H,193,236)(H,194,237)(H,195,241)(H,196,215)(H,197,229)(H,198,231)(H,199,230)(H,216,217)(H,244,245)(H4,156,157,164)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t79-,80+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-,118-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting


Bioorg Med Chem 19: 798-806 (2011)

More data for this
Ligand-Target Pair