BDBM50353666 CHEMBL1830471

SMILES: Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1

InChI Key: InChIKey=YKBZLLVSEVPVRR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50353666   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50353666 (CHEMBL1830471) Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50353666 (CHEMBL1830471) Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-Lipoxygenase expressed in Escherichia coli lysate after 10 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50353666 (CHEMBL1830471) Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of 15-Lipoxygenase-mediated 15-HETE in human neutrophil after 15 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50353666 (CHEMBL1830471) Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of COX2-mediated 6-keto PGF1alpha production in IL1-beta stimulated human A549 cells after 10 mins by EIA				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50353666 (CHEMBL1830471) Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of 12-Lipoxygenase-mediated 12-HETE in human neutrophil after 15 mins by HPLC analysis				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50353666 (CHEMBL1830471) Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gazi University Curated by ChEMBL					Assay Description Inhibition of 5-Lipoxygenase in arachidonic acid-stimulated human neutrophils after 15 mins by HPLC analysis in presence of A23187				Eur J Med Chem 46: 5021-33 (2011) Article DOI: 10.1016/j.ejmech.2011.08.009 BindingDB Entry DOI: 10.7270/Q2445MVS
					More data for this Ligand-Target Pair