BDBM50468632 CHEMBL4293491

SMILES: CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C

InChI Key: InChIKey=RFAYOJJBVSPOFY-GFCCVEGCSA-N

Data: 5 IC50

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 5 hits for monomerid = 50468632   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP1 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human TNAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured af...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair