BDBM50153488 CHEMBL3775288

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)(Cc1ccccc1)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=WHFVSGOKBABQDS-UHRDFMPASA-N

Data: 3 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 3 hits for monomerid = 50153488   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50153488 (CHEMBL3775288) 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)(Cc1ccccc1)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/C183H294N50O49/c1-27-30-54-110(209-160(265)120(65-72-138(242)243)216-164(269)127(83-96(10)11)225-173(278)142(98(14)15)228-161(266)121(66-73-139(244)245)215-155(260)115(60-47-79-199-180(193)194)212-163(268)125(81-94(6)7)220-165(270)126(82-95(8)9)221-167(272)130(86-109-91-195-92-200-109)223-166(271)129(85-106-48-35-32-36-49-106)226-174(279)144(104(21)234)229-170(275)128(84-97(12)13)222-169(274)132(88-141(248)249)205-105(22)235)150(255)201-100(17)146(251)206-113(58-45-77-197-178(189)190)151(256)202-101(18)147(252)208-119(64-71-137(240)241)159(264)217-122(62-69-134(186)237)171(276)232-182(25,89-107-50-37-33-38-51-107)176(281)204-102(19)148(253)207-117(61-68-133(185)236)158(263)214-118-63-70-136(239)196-76-44-42-57-116(227-175(280)181(23,24)231-149(254)103(20)203-152(118)257)157(262)224-131(87-135(187)238)168(273)213-114(59-46-78-198-179(191)192)154(259)210-112(56-41-43-75-184)156(261)219-124(80-93(4)5)162(267)211-111(55-31-28-2)153(258)218-123(67-74-140(246)247)172(277)233-183(26,90-108-52-39-34-40-53-108)177(282)230-143(145(188)250)99(16)29-3/h32-40,48-53,91-104,110-132,142-144,234H,27-31,41-47,54-90,184H2,1-26H3,(H2,185,236)(H2,186,237)(H2,187,238)(H2,188,250)(H,195,200)(H,196,239)(H,201,255)(H,202,256)(H,203,257)(H,204,281)(H,205,235)(H,206,251)(H,207,253)(H,208,252)(H,209,265)(H,210,259)(H,211,267)(H,212,268)(H,213,273)(H,214,263)(H,215,260)(H,216,269)(H,217,264)(H,218,258)(H,219,261)(H,220,270)(H,221,272)(H,222,274)(H,223,271)(H,224,262)(H,225,278)(H,226,279)(H,227,280)(H,228,266)(H,229,275)(H,230,282)(H,231,254)(H,232,276)(H,233,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t99-,100-,101-,102-,103-,104+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120?,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,142-,143-,144-,182?,183?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50153488 (CHEMBL3775288) 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)(Cc1ccccc1)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/C183H294N50O49/c1-27-30-54-110(209-160(265)120(65-72-138(242)243)216-164(269)127(83-96(10)11)225-173(278)142(98(14)15)228-161(266)121(66-73-139(244)245)215-155(260)115(60-47-79-199-180(193)194)212-163(268)125(81-94(6)7)220-165(270)126(82-95(8)9)221-167(272)130(86-109-91-195-92-200-109)223-166(271)129(85-106-48-35-32-36-49-106)226-174(279)144(104(21)234)229-170(275)128(84-97(12)13)222-169(274)132(88-141(248)249)205-105(22)235)150(255)201-100(17)146(251)206-113(58-45-77-197-178(189)190)151(256)202-101(18)147(252)208-119(64-71-137(240)241)159(264)217-122(62-69-134(186)237)171(276)232-182(25,89-107-50-37-33-38-51-107)176(281)204-102(19)148(253)207-117(61-68-133(185)236)158(263)214-118-63-70-136(239)196-76-44-42-57-116(227-175(280)181(23,24)231-149(254)103(20)203-152(118)257)157(262)224-131(87-135(187)238)168(273)213-114(59-46-78-198-179(191)192)154(259)210-112(56-41-43-75-184)156(261)219-124(80-93(4)5)162(267)211-111(55-31-28-2)153(258)218-123(67-74-140(246)247)172(277)233-183(26,90-108-52-39-34-40-53-108)177(282)230-143(145(188)250)99(16)29-3/h32-40,48-53,91-104,110-132,142-144,234H,27-31,41-47,54-90,184H2,1-26H3,(H2,185,236)(H2,186,237)(H2,187,238)(H2,188,250)(H,195,200)(H,196,239)(H,201,255)(H,202,256)(H,203,257)(H,204,281)(H,205,235)(H,206,251)(H,207,253)(H,208,252)(H,209,265)(H,210,259)(H,211,267)(H,212,268)(H,213,273)(H,214,263)(H,215,260)(H,216,269)(H,217,264)(H,218,258)(H,219,261)(H,220,270)(H,221,272)(H,222,274)(H,223,271)(H,224,262)(H,225,278)(H,226,279)(H,227,280)(H,228,266)(H,229,275)(H,230,282)(H,231,254)(H,232,276)(H,233,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t99-,100-,101-,102-,103-,104+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120?,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,142-,143-,144-,182?,183?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50153488 (CHEMBL3775288) 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)(Cc1ccccc1)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/C183H294N50O49/c1-27-30-54-110(209-160(265)120(65-72-138(242)243)216-164(269)127(83-96(10)11)225-173(278)142(98(14)15)228-161(266)121(66-73-139(244)245)215-155(260)115(60-47-79-199-180(193)194)212-163(268)125(81-94(6)7)220-165(270)126(82-95(8)9)221-167(272)130(86-109-91-195-92-200-109)223-166(271)129(85-106-48-35-32-36-49-106)226-174(279)144(104(21)234)229-170(275)128(84-97(12)13)222-169(274)132(88-141(248)249)205-105(22)235)150(255)201-100(17)146(251)206-113(58-45-77-197-178(189)190)151(256)202-101(18)147(252)208-119(64-71-137(240)241)159(264)217-122(62-69-134(186)237)171(276)232-182(25,89-107-50-37-33-38-51-107)176(281)204-102(19)148(253)207-117(61-68-133(185)236)158(263)214-118-63-70-136(239)196-76-44-42-57-116(227-175(280)181(23,24)231-149(254)103(20)203-152(118)257)157(262)224-131(87-135(187)238)168(273)213-114(59-46-78-198-179(191)192)154(259)210-112(56-41-43-75-184)156(261)219-124(80-93(4)5)162(267)211-111(55-31-28-2)153(258)218-123(67-74-140(246)247)172(277)233-183(26,90-108-52-39-34-40-53-108)177(282)230-143(145(188)250)99(16)29-3/h32-40,48-53,91-104,110-132,142-144,234H,27-31,41-47,54-90,184H2,1-26H3,(H2,185,236)(H2,186,237)(H2,187,238)(H2,188,250)(H,195,200)(H,196,239)(H,201,255)(H,202,256)(H,203,257)(H,204,281)(H,205,235)(H,206,251)(H,207,253)(H,208,252)(H,209,265)(H,210,259)(H,211,267)(H,212,268)(H,213,273)(H,214,263)(H,215,260)(H,216,269)(H,217,264)(H,218,258)(H,219,261)(H,220,270)(H,221,272)(H,222,274)(H,223,271)(H,224,262)(H,225,278)(H,226,279)(H,227,280)(H,228,266)(H,229,275)(H,230,282)(H,231,254)(H,232,276)(H,233,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t99-,100-,101-,102-,103-,104+,110?,111?,112-,113-,114-,115-,116-,117-,118-,119-,120?,121-,122-,123-,124-,125-,126-,127-,128-,129+,130-,131-,132-,142-,143-,144-,182?,183?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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