Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Niemann-Pick C1 protein'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50045525 (CHEMBL3311372) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCC(=O)N1CCOCC1)[C@H](C)CCCC(C)C |r| Show InChI InChI=1S/C33H57NO5/c1-22(2)7-6-8-23(3)26-9-10-27-25-19-29(35)33(37)20-24(39-21-30(36)34-15-17-38-18-16-34)11-14-32(33,5)28(25)12-13-31(26,27)4/h22-29,35,37H,6-21H2,1-5H3/t23-,24+,25+,26-,27+,28+,29-,31-,32-,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50439730 (CHEMBL2418982) Show SMILES C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)N(CCO)CCO |r,t:15| Show InChI InChI=1S/C31H52N2O5/c1-21(6-11-28(36)32(4)5)25-9-10-26-24-8-7-22-20-23(38-29(37)33(16-18-34)17-19-35)12-14-30(22,2)27(24)13-15-31(25,26)3/h7,21,23-27,34-35H,6,8-20H2,1-5H3/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to NPC1 (unknown origin)				Bioorg Med Chem 21: 5297-309 (2013) Article DOI: 10.1016/j.bmc.2013.06.022 BindingDB Entry DOI: 10.7270/Q2HX1F3P
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501741 (CHEMBL4081569) Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C20H22N2O2/c1-2-3-4-7-12-22-18-11-10-14(19(21)23)13-17(18)15-8-5-6-9-16(15)20(22)24/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501743 (CHEMBL4070472) Show SMILES CCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C21H24N2O2/c1-2-3-4-5-8-13-23-19-12-11-15(20(22)24)14-18(19)16-9-6-7-10-17(16)21(23)25/h6-7,9-12,14H,2-5,8,13H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501740 (CHEMBL4092121) Show SMILES NC(=O)c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1 Show InChI InChI=1S/C21H22N2O2/c22-20(24)15-10-11-19-18(12-15)16-8-4-5-9-17(16)21(25)23(19)13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501742 (CHEMBL4076151) Show SMILES CCCCCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C19H20N2O2/c1-2-3-6-11-21-17-10-9-13(18(20)22)12-16(17)14-7-4-5-8-15(14)19(21)23/h4-5,7-10,12H,2-3,6,11H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501734 (CHEMBL3297906) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C18H18N2O2/c1-2-3-10-20-16-9-8-12(17(19)21)11-15(16)13-6-4-5-7-14(13)18(20)22/h4-9,11H,2-3,10H2,1H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501731 (CHEMBL3298091) Show SMILES CCCCn1c2ccc(cc2c2CCCCCc2c1=O)C(N)=O Show InChI InChI=1S/C19H24N2O2/c1-2-3-11-21-17-10-9-13(18(20)22)12-16(17)14-7-5-4-6-8-15(14)19(21)23/h9-10,12H,2-8,11H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501745 (CHEMBL4085267) Show SMILES CCCCn1c2ccc(NS(C)(=O)=O)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H20N2O3S/c1-3-4-11-20-17-10-9-13(19-24(2,22)23)12-16(17)14-7-5-6-8-15(14)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501733 (CHEMBL4075007) Show SMILES CCCCn1c2ccc(NC(C)=O)cc2c2ccccc2c1=O Show InChI InChI=1S/C19H20N2O2/c1-3-4-11-21-18-10-9-14(20-13(2)22)12-17(18)15-7-5-6-8-16(15)19(21)23/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501748 (CHEMBL4097145) Show SMILES [#6][Si;v4]([#6])([#6])[#6]-[#6]-[#8]-[#6]-n1c2ccc(cc2c2ccccc2c1=O)-[#6](-[#7])=O Show InChI InChI=1S/C20H24N2O3Si/c1-26(2,3)11-10-25-13-22-18-9-8-14(19(21)23)12-17(18)15-6-4-5-7-16(15)20(22)24/h4-9,12H,10-11,13H2,1-3H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501729 (CHEMBL4070989) Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C17H16N2O2/c1-2-9-19-15-8-7-11(16(18)20)10-14(15)12-5-3-4-6-13(12)17(19)21/h3-8,10H,2,9H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501747 (CHEMBL1088982) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)O Show InChI InChI=1S/C19H21NO2/c1-3-4-11-20-18-10-9-14(13(2)21)12-17(18)15-7-5-6-8-16(15)19(20)22/h5-10,12-13,21H,3-4,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501746 (CHEMBL3297908) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(=O)N(C)C Show InChI InChI=1S/C20H22N2O2/c1-4-5-12-22-18-11-10-14(19(23)21(2)3)13-17(18)15-8-6-7-9-16(15)20(22)24/h6-11,13H,4-5,12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501744 (CHEMBL4091833) Show SMILES CCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C16H14N2O2/c1-2-18-14-8-7-10(15(17)19)9-13(14)11-5-3-4-6-12(11)16(18)20/h3-9H,2H2,1H3,(H2,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501739 (CHEMBL4088731) Show SMILES NC(=O)c1ccc2n(CC=C)c(=O)c3ccccc3c2c1 Show InChI InChI=1S/C17H14N2O2/c1-2-9-19-15-8-7-11(16(18)20)10-14(15)12-5-3-4-6-13(12)17(19)21/h2-8,10H,1,9H2,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50012272 (CHEMBL1088840) Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501737 (CHEMBL1091524) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)=O Show InChI InChI=1S/C19H19NO2/c1-3-4-11-20-18-10-9-14(13(2)21)12-17(18)15-7-5-6-8-16(15)19(20)22/h5-10,12H,3-4,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501736 (CHEMBL3297912) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(=O)N(CCO)CCO Show InChI InChI=1S/C22H26N2O4/c1-2-3-10-24-20-9-8-16(21(27)23(11-13-25)12-14-26)15-19(20)17-6-4-5-7-18(17)22(24)28/h4-9,15,25-26H,2-3,10-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501735 (CHEMBL3297907) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(=O)NC Show InChI InChI=1S/C19H20N2O2/c1-3-4-11-21-17-10-9-13(18(22)20-2)12-16(17)14-7-5-6-8-15(14)19(21)23/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501732 (CHEMBL4087738) Show SMILES CCCCn1c2ccc(cc2c2CCCCc2c1=O)C(N)=O Show InChI InChI=1S/C18H22N2O2/c1-2-3-10-20-16-9-8-12(17(19)21)11-15(16)13-6-4-5-7-14(13)18(20)22/h8-9,11H,2-7,10H2,1H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501730 (CHEMBL4075527) Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(N)=O Show InChI InChI=1S/C15H12N2O2/c1-17-13-7-6-9(14(16)18)8-12(13)10-4-2-3-5-11(10)15(17)19/h2-8H,1H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
NPC intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50501738 (CHEMBL1092220) Show SMILES CCCCn1c2ccc(O)cc2c2ccccc2c1=O Show InChI InChI=1S/C17H17NO2/c1-2-3-10-18-16-9-8-12(19)11-15(16)13-6-4-5-7-14(13)17(18)20/h4-9,11,19H,2-3,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair