null

SMILES: CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21

InChI Key: InChIKey=LPEZGDFBIWWFNL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 21846   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM21846 (5-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...) Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)| Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	186	-9.08	n/a	n/a	n/a	n/a	n/a	7.4	22
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM21846 (5-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...) Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)| Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	412	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21846 (5-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...) Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)| Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21846 (5-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...) Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)| Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
					More data for this Ligand-Target Pair