BDBM50385824 CHEMBL2040896

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1

InChI Key: InChIKey=AYBBBAJBBDEEQL-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 = 50385824   

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))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	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	4.5	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))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	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	2.20E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	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 2D6 (Homo sapiens (Human))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	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
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	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	9.30	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))	BDBM50385824 (CHEMBL2040896) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C27H25N7O4/c1-18-3-2-11-28-21(18)16-32-13-9-27(10-14-32)25(36)33(26(37)34(27)23-15-24(35)30-17-29-23)20-6-4-19(5-7-20)22-8-12-31-38-22/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,29,30,35)	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