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BDBM50153487 CHEMBL3775400

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(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)(Cc1ccccc1)C(=O)NC(C(C)CC)C(N)=O

InChI Key: InChIKey=JQIQLWSEDKMYBV-ATAOIWJOSA-N

Data: 2 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 2 hits for monomerid = 50153487   
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)
BDBM50153487
PNG
(CHEMBL3775400)
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(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)(Cc1ccccc1)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C177H290N50O49/c1-28-31-50-104(203-154(259)114(61-68-132(236)237)210-158(263)121(79-91(10)11)219-167(272)136(93(14)15)222-155(260)115(62-69-133(238)239)209-149(254)109(56-45-75-193-174(187)188)206-157(262)119(77-89(6)7)214-159(264)120(78-90(8)9)215-161(266)124(82-103-86-189-87-194-103)217-160(265)123(81-101-46-35-33-36-47-101)220-168(273)138(99(21)228)223-164(269)122(80-92(12)13)216-163(268)126(84-135(242)243)199-100(22)229)144(249)195-95(17)140(245)200-107(54-43-73-191-172(183)184)145(250)196-96(18)141(246)202-113(60-67-131(234)235)153(258)211-116(58-65-128(180)231)165(270)226-175(23,24)169(274)198-97(19)142(247)201-111(57-64-127(179)230)152(257)208-112-59-66-130(233)190-72-42-40-53-110(221-170(275)176(25,26)225-143(248)98(20)197-146(112)251)151(256)218-125(83-129(181)232)162(267)207-108(55-44-74-192-173(185)186)148(253)204-106(52-39-41-71-178)150(255)213-118(76-88(4)5)156(261)205-105(51-32-29-2)147(252)212-117(63-70-134(240)241)166(271)227-177(27,85-102-48-37-34-38-49-102)171(276)224-137(139(182)244)94(16)30-3/h33-38,46-49,86-99,104-126,136-138,228H,28-32,39-45,50-85,178H2,1-27H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,274)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,259)(H,204,253)(H,205,261)(H,206,262)(H,207,267)(H,208,257)(H,209,254)(H,210,263)(H,211,258)(H,212,252)(H,213,255)(H,214,264)(H,215,266)(H,216,268)(H,217,265)(H,218,256)(H,219,272)(H,220,273)(H,221,275)(H,222,260)(H,223,269)(H,224,276)(H,225,248)(H,226,270)(H,227,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t94-,95-,96-,97-,98-,99+,104?,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,177?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.890n/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))
BDBM50153487
PNG
(CHEMBL3775400)
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(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)(Cc1ccccc1)C(=O)NC(C(C)CC)C(N)=O
Show InChI InChI=1S/C177H290N50O49/c1-28-31-50-104(203-154(259)114(61-68-132(236)237)210-158(263)121(79-91(10)11)219-167(272)136(93(14)15)222-155(260)115(62-69-133(238)239)209-149(254)109(56-45-75-193-174(187)188)206-157(262)119(77-89(6)7)214-159(264)120(78-90(8)9)215-161(266)124(82-103-86-189-87-194-103)217-160(265)123(81-101-46-35-33-36-47-101)220-168(273)138(99(21)228)223-164(269)122(80-92(12)13)216-163(268)126(84-135(242)243)199-100(22)229)144(249)195-95(17)140(245)200-107(54-43-73-191-172(183)184)145(250)196-96(18)141(246)202-113(60-67-131(234)235)153(258)211-116(58-65-128(180)231)165(270)226-175(23,24)169(274)198-97(19)142(247)201-111(57-64-127(179)230)152(257)208-112-59-66-130(233)190-72-42-40-53-110(221-170(275)176(25,26)225-143(248)98(20)197-146(112)251)151(256)218-125(83-129(181)232)162(267)207-108(55-44-74-192-173(185)186)148(253)204-106(52-39-41-71-178)150(255)213-118(76-88(4)5)156(261)205-105(51-32-29-2)147(252)212-117(63-70-134(240)241)166(271)227-177(27,85-102-48-37-34-38-49-102)171(276)224-137(139(182)244)94(16)30-3/h33-38,46-49,86-99,104-126,136-138,228H,28-32,39-45,50-85,178H2,1-27H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,274)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,259)(H,204,253)(H,205,261)(H,206,262)(H,207,267)(H,208,257)(H,209,254)(H,210,263)(H,211,258)(H,212,252)(H,213,255)(H,214,264)(H,215,266)(H,216,268)(H,217,265)(H,218,256)(H,219,272)(H,220,273)(H,221,275)(H,222,260)(H,223,269)(H,224,276)(H,225,248)(H,226,270)(H,227,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t94-,95-,96-,97-,98-,99+,104?,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,136-,137-,138-,177?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.910n/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