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SMILES: CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1

InChI Key: InChIKey=RLAVMOGTUJEIEJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50541738   

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM50541738 (CHEMBL4644373) Show SMILES CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1 Show InChI InChI=1S/C15H13ClN2O/c1-10-9-18(12-3-2-6-17-8-12)15(19)13-5-4-11(16)7-14(10)13/h2-8,10H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay				J Med Chem 63: 6876-6897 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50541738 (CHEMBL4644373) Show SMILES CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1 Show InChI InChI=1S/C15H13ClN2O/c1-10-9-18(12-3-2-6-17-8-12)15(19)13-5-4-11(16)7-14(10)13/h2-8,10H,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycortisol as substrate by HTRF assay				J Med Chem 63: 6876-6897 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50541738 (CHEMBL4644373) Show SMILES CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1 Show InChI InChI=1S/C15H13ClN2O/c1-10-9-18(12-3-2-6-17-8-12)15(19)13-5-4-11(16)7-14(10)13/h2-8,10H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 6876-6897 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50541738 (CHEMBL4644373) Show SMILES CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1 Show InChI InChI=1S/C15H13ClN2O/c1-10-9-18(12-3-2-6-17-8-12)15(19)13-5-4-11(16)7-14(10)13/h2-8,10H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 63: 6876-6897 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50541738 (CHEMBL4644373) Show SMILES CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1 Show InChI InChI=1S/C15H13ClN2O/c1-10-9-18(12-3-2-6-17-8-12)15(19)13-5-4-11(16)7-14(10)13/h2-8,10H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 6876-6897 (2020)
					More data for this Ligand-Target Pair