BDBM50385800 CHEMBL2041187

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1

InChI Key: InChIKey=CHORIEKBRNXNSE-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 = 50385800   

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))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	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	1.20	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))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	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	1.90E+4	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))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	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	0.800	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 2C9 (Homo sapiens (Human))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	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	>1.00E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
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))	BDBM50385800 (CHEMBL2041187) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1 Show InChI InChI=1S/C31H28N6O4/c1-21-4-2-15-32-26(21)20-35-18-13-31(14-19-35)28(40)36(30(41)37(31)29-33-16-3-17-34-29)25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(38)39/h2-12,15-17H,13-14,18-20H2,1H3,(H,38,39)	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	>1.00E+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