BDBM85965 Ava9,10

SMILES: [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O

InChI Key: InChIKey=KWXXYUJNTJJXLU-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 = 85965   

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))	BDBM85965 (Ava9,10) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C55H92N20O12S3/c1-30(2)43-51(86)71-38(27-32-16-18-33(77)19-17-32)48(83)70-37(13-9-24-66-55(61)62)52(87)75-25-10-14-41(75)50(85)72-39(44(56)79)28-89-90-29-40(73-46(81)34(67-31(3)76)11-7-22-64-53(57)58)49(84)69-36(20-26-88-4)45(80)63-21-6-5-15-42(78)68-35(47(82)74-43)12-8-23-65-54(59)60/h16-19,30,34-41,43,77H,5-15,20-29H2,1-4H3,(H2,56,79)(H,63,80)(H,67,76)(H,68,78)(H,69,84)(H,70,83)(H,71,86)(H,72,85)(H,73,81)(H,74,82)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Biochemistry 41: 6383-90 (2002) Article DOI: 10.1021/bi0200514 BindingDB Entry DOI: 10.7270/Q23N21ZT
					More data for this Ligand-Target Pair
GPR145 (Homo sapiens (Human))	BDBM85965 (Ava9,10) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C55H92N20O12S3/c1-30(2)43-51(86)71-38(27-32-16-18-33(77)19-17-32)48(83)70-37(13-9-24-66-55(61)62)52(87)75-25-10-14-41(75)50(85)72-39(44(56)79)28-89-90-29-40(73-46(81)34(67-31(3)76)11-7-22-64-53(57)58)49(84)69-36(20-26-88-4)45(80)63-21-6-5-15-42(78)68-35(47(82)74-43)12-8-23-65-54(59)60/h16-19,30,34-41,43,77H,5-15,20-29H2,1-4H3,(H2,56,79)(H,63,80)(H,67,76)(H,68,78)(H,69,84)(H,70,83)(H,71,86)(H,72,85)(H,73,81)(H,74,82)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Biochemistry 41: 6383-90 (2002) Article DOI: 10.1021/bi0200514 BindingDB Entry DOI: 10.7270/Q23N21ZT
					More data for this Ligand-Target Pair