BDBM50465792 CHEMBL4279774

SMILES: COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1

InChI Key: InChIKey=LDURKOGJFOYENC-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50465792   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50465792 (CHEMBL4279774) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3 (Homo sapiens (Human))	BDBM50465792 (CHEMBL4279774) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of low frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated p...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3 (Homo sapiens (Human))	BDBM50465792 (CHEMBL4279774) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated ...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3 (Homo sapiens (Human))	BDBM50465792 (CHEMBL4279774) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair				3D Structure (crystal)