BDBM50286879 Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']binaphthalenyl-2-yl ester::CHEMBL141926

SMILES: CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12

InChI Key: InChIKey=MFHWUULMDRTTFN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50286879   

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
Cholesterol esterase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Cholesterol esterase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Cholesterol esterase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Cholesterol esterase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Cholesterol esterase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Cholesterol esterase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair