BDBM50385794 CHEMBL2041181

SMILES: COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O

InChI Key: InChIKey=BQVRVXOKDOEPNL-UHFFFAOYSA-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 = 50385794   

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
Prolyl hydroxylase EGLN3 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PHD3				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair
Egl nine homolog 2 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PHD1				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human Erg				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with c...				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50385794 (CHEMBL2041181) Show SMILES COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C32H31N7O5/c1-20-5-4-12-33-26(20)18-37-13-10-32(11-14-37)30(42)38(31(43)39(32)27-16-28(44-3)36-19-35-27)23-7-9-25(34-17-23)24-8-6-22(29(40)41)15-21(24)2/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,40,41)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 2945-59 (2012) Article DOI: 10.1021/jm201542d BindingDB Entry DOI: 10.7270/Q27945QW
					More data for this Ligand-Target Pair