BDBM50236004 CHEMBL4101809

SMILES: COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1

InChI Key: InChIKey=YOJYAOMAAVBZQG-MRXNPFEDSA-N

Data: 7 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 7 hits for monomerid = 50236004   

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 GSC2 (Saccharomyces cerevisiae)	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50236004 (CHEMBL4101809) Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16| Show InChI InChI=1S/C21H19N5O3/c1-13-10-26(12-22-13)17-8-7-15(24-21(17)27-2)20-23-16(11-28-25-20)19-9-14-5-3-4-6-18(14)29-19/h3-10,12,16H,11H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
FORUM Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 60: 2383-2400 (2017) Article DOI: 10.1021/acs.jmedchem.6b01620 BindingDB Entry DOI: 10.7270/Q2WD42TX
					More data for this Ligand-Target Pair