BDBM50153484 CHEMBL3775678

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

InChI Key: InChIKey=UHBZHAJMSZGBHJ-ZFDJBGCZSA-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 = 50153484   

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))	BDBM50153484 (CHEMBL3775678) Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C173H286N52O49/c1-27-30-44-100(201-151(257)110(55-62-129(234)235)209-155(261)117(73-87(10)11)219-165(271)133(89(14)15)221-152(258)111(56-63-130(236)237)208-146(252)106(50-41-69-190-171(183)184)205-154(260)115(71-85(6)7)214-156(262)116(72-86(8)9)215-159(265)121(77-99-81-186-83-192-99)217-157(263)119(75-97-42-33-32-34-43-97)220-166(272)135(95(21)226)222-162(268)118(74-88(12)13)216-161(267)123(79-132(240)241)197-96(22)227)141(247)193-91(17)137(243)198-104(48-39-67-188-169(179)180)142(248)194-92(18)138(244)200-109(54-61-128(232)233)150(256)210-112(52-59-125(176)229)163(269)224-172(23,24)167(273)196-94(20)140(246)199-107(51-58-124(175)228)149(255)207-108-53-60-127(231)187-66-38-36-47-103(204-158(264)120(76-98-80-185-82-191-98)212-139(245)93(19)195-143(108)249)148(254)218-122(78-126(177)230)160(266)206-105(49-40-68-189-170(181)182)145(251)202-102(46-35-37-65-174)147(253)213-114(70-84(4)5)153(259)203-101(45-31-28-2)144(250)211-113(57-64-131(238)239)164(270)225-173(25,26)168(274)223-134(136(178)242)90(16)29-3/h32-34,42-43,80-95,100-123,133-135,226H,27-31,35-41,44-79,174H2,1-26H3,(H2,175,228)(H2,176,229)(H2,177,230)(H2,178,242)(H,185,191)(H,186,192)(H,187,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,246)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,264)(H,205,260)(H,206,266)(H,207,255)(H,208,252)(H,209,261)(H,210,256)(H,211,250)(H,212,245)(H,213,253)(H,214,262)(H,215,265)(H,216,267)(H,217,263)(H,218,254)(H,219,271)(H,220,272)(H,221,258)(H,222,268)(H,223,274)(H,224,269)(H,225,270)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t90-,91-,92-,93-,94-,95+,100?,101?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,133-,134-,135-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	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)	BDBM50153484 (CHEMBL3775678) Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C173H286N52O49/c1-27-30-44-100(201-151(257)110(55-62-129(234)235)209-155(261)117(73-87(10)11)219-165(271)133(89(14)15)221-152(258)111(56-63-130(236)237)208-146(252)106(50-41-69-190-171(183)184)205-154(260)115(71-85(6)7)214-156(262)116(72-86(8)9)215-159(265)121(77-99-81-186-83-192-99)217-157(263)119(75-97-42-33-32-34-43-97)220-166(272)135(95(21)226)222-162(268)118(74-88(12)13)216-161(267)123(79-132(240)241)197-96(22)227)141(247)193-91(17)137(243)198-104(48-39-67-188-169(179)180)142(248)194-92(18)138(244)200-109(54-61-128(232)233)150(256)210-112(52-59-125(176)229)163(269)224-172(23,24)167(273)196-94(20)140(246)199-107(51-58-124(175)228)149(255)207-108-53-60-127(231)187-66-38-36-47-103(204-158(264)120(76-98-80-185-82-191-98)212-139(245)93(19)195-143(108)249)148(254)218-122(78-126(177)230)160(266)206-105(49-40-68-189-170(181)182)145(251)202-102(46-35-37-65-174)147(253)213-114(70-84(4)5)153(259)203-101(45-31-28-2)144(250)211-113(57-64-131(238)239)164(270)225-173(25,26)168(274)223-134(136(178)242)90(16)29-3/h32-34,42-43,80-95,100-123,133-135,226H,27-31,35-41,44-79,174H2,1-26H3,(H2,175,228)(H2,176,229)(H2,177,230)(H2,178,242)(H,185,191)(H,186,192)(H,187,231)(H,193,247)(H,194,248)(H,195,249)(H,196,273)(H,197,227)(H,198,243)(H,199,246)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,264)(H,205,260)(H,206,266)(H,207,255)(H,208,252)(H,209,261)(H,210,256)(H,211,250)(H,212,245)(H,213,253)(H,214,262)(H,215,265)(H,216,267)(H,217,263)(H,218,254)(H,219,271)(H,220,272)(H,221,258)(H,222,268)(H,223,274)(H,224,269)(H,225,270)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t90-,91-,92-,93-,94-,95+,100?,101?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,133-,134-,135-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.620	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