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BDBM50153582 CHEMBL3774981

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(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)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)(C)C(=O)NC(C(C)CC)C(N)=O

InChI Key: InChIKey=BRNVZHKREJSUAP-BVUSGJJDSA-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 = 50153582   
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)
BDBM50153582
PNG
(CHEMBL3774981)
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(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)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)(C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C184H313N51O55/c1-28-31-45-110(211-161(267)120(56-63-139(244)245)218-165(271)127(88-99(10)11)227-174(280)143(101(14)15)230-162(268)121(57-64-140(246)247)217-156(262)115(51-42-72-201-181(195)196)214-164(270)125(86-97(6)7)222-166(272)126(87-98(8)9)223-168(274)130(91-109-94-197-95-202-109)225-167(273)129(90-108-43-34-33-35-44-108)228-175(281)145(107(21)236)231-171(277)128(89-100(12)13)224-170(276)132(93-142(250)251)207-137(241)66-73-285-75-77-287-79-81-289-83-84-290-82-80-288-78-76-286-74-68-186)151(257)203-103(17)147(253)208-113(49-40-70-199-179(191)192)152(258)204-104(18)148(254)210-119(55-62-138(242)243)160(266)219-122(53-60-134(188)238)172(278)234-182(22,23)176(282)206-105(19)149(255)209-117(52-59-133(187)237)159(265)216-118-54-61-136(240)198-69-39-37-48-116(229-177(283)183(24,25)233-150(256)106(20)205-153(118)259)158(264)226-131(92-135(189)239)169(275)215-114(50-41-71-200-180(193)194)155(261)212-112(47-36-38-67-185)157(263)221-124(85-96(4)5)163(269)213-111(46-32-29-2)154(260)220-123(58-65-141(248)249)173(279)235-184(26,27)178(284)232-144(146(190)252)102(16)30-3/h33-35,43-44,94-107,110-132,143-145,236H,28-32,36-42,45-93,185-186H2,1-27H3,(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,252)(H,197,202)(H,198,240)(H,203,257)(H,204,258)(H,205,259)(H,206,282)(H,207,241)(H,208,253)(H,209,255)(H,210,254)(H,211,267)(H,212,261)(H,213,269)(H,214,270)(H,215,275)(H,216,265)(H,217,262)(H,218,271)(H,219,266)(H,220,260)(H,221,263)(H,222,272)(H,223,274)(H,224,276)(H,225,273)(H,226,264)(H,227,280)(H,228,281)(H,229,283)(H,230,268)(H,231,277)(H,232,284)(H,233,256)(H,234,278)(H,235,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/t102-,103-,104-,105-,106-,107+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,143-,144-,145-/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]-PD-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 2


(Mus musculus)
BDBM50153582
PNG
(CHEMBL3774981)
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(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)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)(C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C184H313N51O55/c1-28-31-45-110(211-161(267)120(56-63-139(244)245)218-165(271)127(88-99(10)11)227-174(280)143(101(14)15)230-162(268)121(57-64-140(246)247)217-156(262)115(51-42-72-201-181(195)196)214-164(270)125(86-97(6)7)222-166(272)126(87-98(8)9)223-168(274)130(91-109-94-197-95-202-109)225-167(273)129(90-108-43-34-33-35-44-108)228-175(281)145(107(21)236)231-171(277)128(89-100(12)13)224-170(276)132(93-142(250)251)207-137(241)66-73-285-75-77-287-79-81-289-83-84-290-82-80-288-78-76-286-74-68-186)151(257)203-103(17)147(253)208-113(49-40-70-199-179(191)192)152(258)204-104(18)148(254)210-119(55-62-138(242)243)160(266)219-122(53-60-134(188)238)172(278)234-182(22,23)176(282)206-105(19)149(255)209-117(52-59-133(187)237)159(265)216-118-54-61-136(240)198-69-39-37-48-116(229-177(283)183(24,25)233-150(256)106(20)205-153(118)259)158(264)226-131(92-135(189)239)169(275)215-114(50-41-71-200-180(193)194)155(261)212-112(47-36-38-67-185)157(263)221-124(85-96(4)5)163(269)213-111(46-32-29-2)154(260)220-123(58-65-141(248)249)173(279)235-184(26,27)178(284)232-144(146(190)252)102(16)30-3/h33-35,43-44,94-107,110-132,143-145,236H,28-32,36-42,45-93,185-186H2,1-27H3,(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,252)(H,197,202)(H,198,240)(H,203,257)(H,204,258)(H,205,259)(H,206,282)(H,207,241)(H,208,253)(H,209,255)(H,210,254)(H,211,267)(H,212,261)(H,213,269)(H,214,270)(H,215,275)(H,216,265)(H,217,262)(H,218,271)(H,219,266)(H,220,260)(H,221,263)(H,222,272)(H,223,274)(H,224,276)(H,225,273)(H,226,264)(H,227,280)(H,228,281)(H,229,283)(H,230,268)(H,231,277)(H,232,284)(H,233,256)(H,234,278)(H,235,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/t102-,103-,104-,105-,106-,107+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,143-,144-,145-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.10n/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))
BDBM50153582
PNG
(CHEMBL3774981)
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(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)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)(C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C184H313N51O55/c1-28-31-45-110(211-161(267)120(56-63-139(244)245)218-165(271)127(88-99(10)11)227-174(280)143(101(14)15)230-162(268)121(57-64-140(246)247)217-156(262)115(51-42-72-201-181(195)196)214-164(270)125(86-97(6)7)222-166(272)126(87-98(8)9)223-168(274)130(91-109-94-197-95-202-109)225-167(273)129(90-108-43-34-33-35-44-108)228-175(281)145(107(21)236)231-171(277)128(89-100(12)13)224-170(276)132(93-142(250)251)207-137(241)66-73-285-75-77-287-79-81-289-83-84-290-82-80-288-78-76-286-74-68-186)151(257)203-103(17)147(253)208-113(49-40-70-199-179(191)192)152(258)204-104(18)148(254)210-119(55-62-138(242)243)160(266)219-122(53-60-134(188)238)172(278)234-182(22,23)176(282)206-105(19)149(255)209-117(52-59-133(187)237)159(265)216-118-54-61-136(240)198-69-39-37-48-116(229-177(283)183(24,25)233-150(256)106(20)205-153(118)259)158(264)226-131(92-135(189)239)169(275)215-114(50-41-71-200-180(193)194)155(261)212-112(47-36-38-67-185)157(263)221-124(85-96(4)5)163(269)213-111(46-32-29-2)154(260)220-123(58-65-141(248)249)173(279)235-184(26,27)178(284)232-144(146(190)252)102(16)30-3/h33-35,43-44,94-107,110-132,143-145,236H,28-32,36-42,45-93,185-186H2,1-27H3,(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,252)(H,197,202)(H,198,240)(H,203,257)(H,204,258)(H,205,259)(H,206,282)(H,207,241)(H,208,253)(H,209,255)(H,210,254)(H,211,267)(H,212,261)(H,213,269)(H,214,270)(H,215,275)(H,216,265)(H,217,262)(H,218,271)(H,219,266)(H,220,260)(H,221,263)(H,222,272)(H,223,274)(H,224,276)(H,225,273)(H,226,264)(H,227,280)(H,228,281)(H,229,283)(H,230,268)(H,231,277)(H,232,284)(H,233,256)(H,234,278)(H,235,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/t102-,103-,104-,105-,106-,107+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,143-,144-,145-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3n/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 1


(Homo sapiens (Human))
BDBM50153582
PNG
(CHEMBL3774981)
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(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)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)(C)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C184H313N51O55/c1-28-31-45-110(211-161(267)120(56-63-139(244)245)218-165(271)127(88-99(10)11)227-174(280)143(101(14)15)230-162(268)121(57-64-140(246)247)217-156(262)115(51-42-72-201-181(195)196)214-164(270)125(86-97(6)7)222-166(272)126(87-98(8)9)223-168(274)130(91-109-94-197-95-202-109)225-167(273)129(90-108-43-34-33-35-44-108)228-175(281)145(107(21)236)231-171(277)128(89-100(12)13)224-170(276)132(93-142(250)251)207-137(241)66-73-285-75-77-287-79-81-289-83-84-290-82-80-288-78-76-286-74-68-186)151(257)203-103(17)147(253)208-113(49-40-70-199-179(191)192)152(258)204-104(18)148(254)210-119(55-62-138(242)243)160(266)219-122(53-60-134(188)238)172(278)234-182(22,23)176(282)206-105(19)149(255)209-117(52-59-133(187)237)159(265)216-118-54-61-136(240)198-69-39-37-48-116(229-177(283)183(24,25)233-150(256)106(20)205-153(118)259)158(264)226-131(92-135(189)239)169(275)215-114(50-41-71-200-180(193)194)155(261)212-112(47-36-38-67-185)157(263)221-124(85-96(4)5)163(269)213-111(46-32-29-2)154(260)220-123(58-65-141(248)249)173(279)235-184(26,27)178(284)232-144(146(190)252)102(16)30-3/h33-35,43-44,94-107,110-132,143-145,236H,28-32,36-42,45-93,185-186H2,1-27H3,(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,252)(H,197,202)(H,198,240)(H,203,257)(H,204,258)(H,205,259)(H,206,282)(H,207,241)(H,208,253)(H,209,255)(H,210,254)(H,211,267)(H,212,261)(H,213,269)(H,214,270)(H,215,275)(H,216,265)(H,217,262)(H,218,271)(H,219,266)(H,220,260)(H,221,263)(H,222,272)(H,223,274)(H,224,276)(H,225,273)(H,226,264)(H,227,280)(H,228,281)(H,229,283)(H,230,268)(H,231,277)(H,232,284)(H,233,256)(H,234,278)(H,235,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/t102-,103-,104-,105-,106-,107+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,143-,144-,145-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.5n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1]-PD-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