BDBM85790 Salmon MCH

SMILES: CSCCC(NC(=O)C(NC(=O)C(N)CC(O)=O)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCSC)NC1=O)C(C)C)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)C)C(O)=O

InChI Key: InChIKey=ORRDHOMWDPJSNL-UHFFFAOYSA-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 = 85790   

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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM85790 (Salmon MCH) Show SMILES CSCCC(NC(=O)C(NC(=O)C(N)CC(O)=O)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCSC)NC1=O)C(C)C)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)C)C(O)=O |(16.32,3.32,;17.66,2.55,;18.99,3.32,;18.99,4.86,;20.32,5.63,;20.32,7.17,;21.66,7.94,;22.99,7.17,;21.66,9.48,;22.99,10.25,;22.99,11.79,;21.66,12.56,;24.33,12.56,;25.66,11.79,;24.33,14.1,;25.66,14.87,;25.66,16.41,;26.99,14.1,;20.32,10.25,;18.99,9.48,;20.32,11.79,;21.66,4.86,;22.99,5.63,;21.66,3.32,;22.99,2.55,;24.33,3.32,;24.33,4.86,;25.66,5.63,;25.66,7.17,;26.99,7.94,;26.99,9.48,;28.33,7.17,;22.99,1.01,;21.66,.24,;24.33,.24,;24.33,-1.3,;22.99,-2.07,;21.66,-1.3,;20.32,-2.07,;20.32,-3.61,;18.99,-4.38,;18.99,-5.92,;17.66,-6.69,;16.12,-6.69,;17.66,-8.23,;16.52,-9.26,;17.15,-10.66,;18.67,-10.5,;18.99,-9,;20.32,-8.23,;21.09,-6.9,;21.66,-9,;21.66,-10.54,;20.32,-11.31,;20.32,-12.85,;18.99,-13.62,;18.99,-15.16,;17.66,-15.93,;20.32,-15.93,;22.99,-8.23,;24.33,-9,;24.33,-10.54,;25.66,-8.23,;26.99,-9,;26.99,-10.54,;25.66,-11.31,;25.66,-12.85,;26.99,-13.62,;26.99,-15.16,;28.33,-12.85,;28.33,-11.31,;25.66,-6.69,;26.99,-5.92,;26.99,-4.38,;28.33,-6.69,;29.66,-5.92,;30.99,-6.69,;30.99,-8.23,;32.33,-5.92,;33.66,-6.69,;33.66,-8.23,;34.99,-9,;34.99,-10.54,;36.33,-11.31,;36.33,-12.85,;37.66,-10.54,;32.33,-4.38,;33.66,-3.61,;34.99,-4.38,;33.66,-2.07,;32.33,-1.3,;32.33,.24,;33.66,1.01,;30.99,1.01,;29.66,.24,;28.33,1.01,;28.33,2.55,;26.99,.24,;25.81,1.23,;26.08,2.75,;27.53,3.27,;27.8,4.79,;26.99,-1.3,;25.66,-2.07,;25.66,-3.61,;30.99,2.55,;32.33,3.32,;29.66,3.32,;28.33,-8.23,;29.66,-9,;28.33,-9.77,;17.66,-3.61,;17.66,-2.07,;16.32,-4.38,;14.99,-3.61,;14.99,-2.07,;13.66,-1.3,;12.26,-1.93,;11.23,-.79,;11.99,.54,;11.51,2,;12.54,3.15,;14.05,2.83,;14.53,1.37,;13.5,.22,;13.66,-4.38,;13.66,-5.92,;12.12,-3.61,;10.78,-4.38,;10.78,-5.92,;9.45,-6.69,;9.45,-8.23,;8.11,-9,;10.78,-9,;9.45,-3.61,;9.45,-2.07,;7.91,-4.38,;6.57,-3.61,;6.57,-2.07,;5.24,-1.3,;7.91,-1.3,;5.24,-4.38,;3.91,-3.61,;5.24,-5.92,)| Show InChI InChI=1S/C89H139N27O24S4/c1-43(2)67-82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140)42-144-143-41-61(79(132)105-57(29-35-142-9)76(129)112-67)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-141-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 98: 7564-9 (2001) Article DOI: 10.1073/pnas.121170598 BindingDB Entry DOI: 10.7270/Q2RJ4H14
					More data for this Ligand-Target Pair
GPR145 (Homo sapiens (Human))	BDBM85790 (Salmon MCH) Show SMILES CSCCC(NC(=O)C(NC(=O)C(N)CC(O)=O)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCSC)NC1=O)C(C)C)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)C)C(O)=O |(16.32,3.32,;17.66,2.55,;18.99,3.32,;18.99,4.86,;20.32,5.63,;20.32,7.17,;21.66,7.94,;22.99,7.17,;21.66,9.48,;22.99,10.25,;22.99,11.79,;21.66,12.56,;24.33,12.56,;25.66,11.79,;24.33,14.1,;25.66,14.87,;25.66,16.41,;26.99,14.1,;20.32,10.25,;18.99,9.48,;20.32,11.79,;21.66,4.86,;22.99,5.63,;21.66,3.32,;22.99,2.55,;24.33,3.32,;24.33,4.86,;25.66,5.63,;25.66,7.17,;26.99,7.94,;26.99,9.48,;28.33,7.17,;22.99,1.01,;21.66,.24,;24.33,.24,;24.33,-1.3,;22.99,-2.07,;21.66,-1.3,;20.32,-2.07,;20.32,-3.61,;18.99,-4.38,;18.99,-5.92,;17.66,-6.69,;16.12,-6.69,;17.66,-8.23,;16.52,-9.26,;17.15,-10.66,;18.67,-10.5,;18.99,-9,;20.32,-8.23,;21.09,-6.9,;21.66,-9,;21.66,-10.54,;20.32,-11.31,;20.32,-12.85,;18.99,-13.62,;18.99,-15.16,;17.66,-15.93,;20.32,-15.93,;22.99,-8.23,;24.33,-9,;24.33,-10.54,;25.66,-8.23,;26.99,-9,;26.99,-10.54,;25.66,-11.31,;25.66,-12.85,;26.99,-13.62,;26.99,-15.16,;28.33,-12.85,;28.33,-11.31,;25.66,-6.69,;26.99,-5.92,;26.99,-4.38,;28.33,-6.69,;29.66,-5.92,;30.99,-6.69,;30.99,-8.23,;32.33,-5.92,;33.66,-6.69,;33.66,-8.23,;34.99,-9,;34.99,-10.54,;36.33,-11.31,;36.33,-12.85,;37.66,-10.54,;32.33,-4.38,;33.66,-3.61,;34.99,-4.38,;33.66,-2.07,;32.33,-1.3,;32.33,.24,;33.66,1.01,;30.99,1.01,;29.66,.24,;28.33,1.01,;28.33,2.55,;26.99,.24,;25.81,1.23,;26.08,2.75,;27.53,3.27,;27.8,4.79,;26.99,-1.3,;25.66,-2.07,;25.66,-3.61,;30.99,2.55,;32.33,3.32,;29.66,3.32,;28.33,-8.23,;29.66,-9,;28.33,-9.77,;17.66,-3.61,;17.66,-2.07,;16.32,-4.38,;14.99,-3.61,;14.99,-2.07,;13.66,-1.3,;12.26,-1.93,;11.23,-.79,;11.99,.54,;11.51,2,;12.54,3.15,;14.05,2.83,;14.53,1.37,;13.5,.22,;13.66,-4.38,;13.66,-5.92,;12.12,-3.61,;10.78,-4.38,;10.78,-5.92,;9.45,-6.69,;9.45,-8.23,;8.11,-9,;10.78,-9,;9.45,-3.61,;9.45,-2.07,;7.91,-4.38,;6.57,-3.61,;6.57,-2.07,;5.24,-1.3,;7.91,-1.3,;5.24,-4.38,;3.91,-3.61,;5.24,-5.92,)| Show InChI InChI=1S/C89H139N27O24S4/c1-43(2)67-82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140)42-144-143-41-61(79(132)105-57(29-35-142-9)76(129)112-67)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-141-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 98: 7564-9 (2001) Article DOI: 10.1073/pnas.121170598 BindingDB Entry DOI: 10.7270/Q2RJ4H14
					More data for this Ligand-Target Pair