Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50018963   

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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614248 (CHEMBL5265903) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(F)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614249 (CHEMBL5280316) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(C)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614256 (CHEMBL5272737) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614250 (CHEMBL5288210) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(F)ccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614257 (CHEMBL5287414) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614247 (CHEMBL5269695) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccc(OC(F)(F)F)cc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614254 (CHEMBL5289877) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(OC)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614246 (CHEMBL5279325) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50254171 (CHEMBL4069120) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI InChI=1S/C26H44N8O3/c1-29-25(35)32-23(27)30-16-10-4-2-3-5-11-17-34-18-12-6-7-13-19-37-22-15-9-8-14-21(22)20-31-24(28)33-26(34)36/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H3,28,31,33,36)(H4,27,29,30,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614251 (CHEMBL5268683) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2cc(Cl)ccc2COc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614259 (CHEMBL5270383) Show SMILES CNC(=O)NC(=N)NCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614241 (CHEMBL5280623) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2ccc(F)cc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614258 (CHEMBL5270387) Show SMILES CNC(=O)NC(=N)NCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614242 (CHEMBL5272989) Show SMILES CN(C)C(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614240 (CHEMBL5290508) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(F)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614245 (CHEMBL5283183) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCCCNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614255 (CHEMBL5268303) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(Cl)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614243 (CHEMBL5279201) Show SMILES CNC(=S)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Chitotriosidase-1 (Homo sapiens (Human))	BDBM50614252 (CHEMBL5283905) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCc2ccccc2COc2cc(C)ccc2CNC(=N)NC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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