BDBM191903 US9187429, 36::US9187429, 37::US9187429, 38

SMILES: CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1

InChI Key: InChIKey=BTXHAHICPWSTRI-UHFFFAOYSA-N

Data: 1 IC50  6 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 191903   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	214	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair				3D Structure (crystal)