BDBM50073554 CHEMBL3408940::US10358436, Example A110::US9907800, Example A110

SMILES: CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12

InChI Key: InChIKey=JZIZUMLXHJPWJH-WQRKFILVSA-N

Data: 10 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 10 hits for monomerid = 50073554   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using BFC as substrate by fluorescence assay				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q2KD216W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Active PLK4 was purified from an E. coli expression system as an amino terminal GST fusion of residues 1-391 of human PLK4. The protein was purified ...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...				US Patent US10358436 (2019) BindingDB Entry DOI: 10.7270/Q2K939WH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073554 (CHEMBL3408940 | US10358436, Example A110 | US99078...) Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r| Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PLK4 (unknown origin) by ELISA				J Med Chem 58: 147-69 (2015) BindingDB Entry DOI: 10.7270/Q2M0475V
					More data for this Ligand-Target Pair