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BDBM50153499 CHEMBL3774658

SMILES: CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O

InChI Key: InChIKey=MJCMXEUHCNPBGP-GUWBVDKHSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50153499   
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
Corticotropin releasing factor receptor 2


(Mus musculus)
BDBM50153499
PNG
(CHEMBL3774658)
Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.170n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50153499
PNG
(CHEMBL3774658)
Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.200n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 2


(Mus musculus)
BDBM50153499
PNG
(CHEMBL3774658)
Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50153499
PNG
(CHEMBL3774658)
Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C177H296N52O47/c1-30-33-47-106(206-155(259)115(57-63-133(236)237)214-159(263)122(74-90(10)11)223-169(273)137(94(18)19)225-156(260)116(58-64-134(238)239)213-151(255)112(53-44-70-194-175(187)188)210-158(262)120(72-88(6)7)218-160(264)121(73-89(8)9)219-163(267)126(78-105-84-190-86-196-105)221-161(265)124(76-103-45-36-35-37-46-103)224-170(274)139(101(26)230)226-166(270)123(75-91(12)13)220-165(269)128(80-136(242)243)202-102(27)231)146(250)199-98(23)143(247)203-110(51-42-68-192-173(183)184)147(251)198-96(21)141(245)197-97(22)142(246)205-117(55-61-130(180)233)167(271)228-176(28,81-92(14)15)171(275)201-100(25)145(249)204-113(54-60-129(179)232)154(258)212-114-56-62-132(235)191-67-41-39-50-109(209-162(266)125(77-104-83-189-85-195-104)216-144(248)99(24)200-148(114)252)153(257)222-127(79-131(181)234)164(268)211-111(52-43-69-193-174(185)186)150(254)207-108(49-38-40-66-178)152(256)217-119(71-87(4)5)157(261)208-107(48-34-31-2)149(253)215-118(59-65-135(240)241)168(272)229-177(29,82-93(16)17)172(276)227-138(140(182)244)95(20)32-3/h35-37,45-46,83-101,106-128,137-139,230H,30-34,38-44,47-82,178H2,1-29H3,(H2,179,232)(H2,180,233)(H2,181,234)(H2,182,244)(H,189,195)(H,190,196)(H,191,235)(H,197,245)(H,198,251)(H,199,250)(H,200,252)(H,201,275)(H,202,231)(H,203,247)(H,204,249)(H,205,246)(H,206,259)(H,207,254)(H,208,261)(H,209,266)(H,210,262)(H,211,268)(H,212,258)(H,213,255)(H,214,263)(H,215,253)(H,216,248)(H,217,256)(H,218,264)(H,219,267)(H,220,269)(H,221,265)(H,222,257)(H,223,273)(H,224,274)(H,225,260)(H,226,270)(H,227,276)(H,228,271)(H,229,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t95-,96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,137-,138-,139-,176?,177?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair