BDBM50385832 CHEMBL2043004

SMILES: Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1

InChI Key: InChIKey=SGDWPIDXMHBDQC-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50385832   

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))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	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	220	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))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	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	6.90E+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
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	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	2.5	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
Egl nine homolog 2 (Homo sapiens (Human))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	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	1.30	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	PDB UniProtKB/SwissProt 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 Cav1.2				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
Pregnane X receptor (Homo sapiens (Human))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	PDB UniProtKB/SwissProt 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 PXR				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))	BDBM50385832 (CHEMBL2043004) Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1 Show InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14-17-34)28(38)35(29(39)36(30)26-18-27(37)33-20-32-26)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-12,15,18,20H,13-14,16-17,19H2,1H3,(H,32,33,37)	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	6.50E+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