Compile Data Set for Download or QSAR

Found 511 hits of ec50 data for polymerid = 1022   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM347679 ((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-me...) Show SMILES COc1ccccc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(23-14-10-8-13(19)9-11-14)18(21)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3/b17-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00100	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347718 (4-[(Z)-1-(2-Benzyloxybenzoyl)-2- (dimethylamino)vi...) Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C25H22N2O3/c1-27(2)17-24(30-21-14-12-19(16-26)13-15-21)25(28)22-10-6-7-11-23(22)29-18-20-8-4-3-5-9-20/h3-15,17H,18H2,1-2H3/b24-17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00100	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347757 (CHEM-US-00174 | US9790217, 79) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccccn2)cc1 Show InChI InChI=1S/C22H16N4O2/c23-13-16-8-10-18(11-9-16)28-21-14-25-26-22(21)19-6-1-2-7-20(19)27-15-17-5-3-4-12-24-17/h1-12,14H,15H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00300	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347763 (CHEM-US-00182 | US9790217, 85) Show SMILES Fc1c(OCc2ccncc2)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C22H15FN4O2/c23-21-18(2-1-3-19(21)28-14-16-8-10-25-11-9-16)22-20(13-26-27-22)29-17-6-4-15(12-24)5-7-17/h1-11,13H,14H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00500	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347758 (CHEM-US-00175 | US9790217, 80) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cn[nH]c2)cc1 Show InChI InChI=1S/C20H15N5O2/c21-9-14-5-7-16(8-6-14)27-19-12-24-25-20(19)17-3-1-2-4-18(17)26-13-15-10-22-23-11-15/h1-8,10-12H,13H2,(H,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00700	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347754 (4-[[3-[2-(Pyridin-4-ylmethoxy)phenyl]-1H-pyrazol-4...) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccncc2)cc1 Show InChI InChI=1S/C22H16N4O2/c23-13-16-5-7-18(8-6-16)28-21-14-25-26-22(21)19-3-1-2-4-20(19)27-15-17-9-11-24-12-10-17/h1-12,14H,15H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00700	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347755 (CHEM-US-00172 | US9790217, 77) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccnnc2)cc1 Show InChI InChI=1S/C21H15N5O2/c22-11-15-5-7-17(8-6-15)28-20-13-25-26-21(20)18-3-1-2-4-19(18)27-14-16-9-10-23-24-12-16/h1-10,12-13H,14H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0110	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347756 (CHEM-US-00173 | US9790217, 78) Show SMILES Oc1ccccc1-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C16H11N3O2/c17-9-11-5-7-12(8-6-11)21-15-10-18-19-16(15)13-3-1-2-4-14(13)20/h1-8,10,20H,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0110	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347679 ((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-me...) Show SMILES COc1ccccc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(23-14-10-8-13(19)9-11-14)18(21)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3/b17-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0120	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347762 (4-[[3-(2-Fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]o...) Show SMILES Oc1cccc(-c2[nH]ncc2Oc2ccc(cc2)C#N)c1F Show InChI InChI=1S/C16H10FN3O2/c17-15-12(2-1-3-13(15)21)16-14(9-19-20-16)22-11-6-4-10(8-18)5-7-11/h1-7,9,21H,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0170	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347703 ((E)-1-[(2-Chlorobenzoyl)-2- (dimethylamino)vinylox...) Show SMILES CN(C)C(=C\OC1(CC=CC=C1)C#N)\C(=O)c1ccccc1Cl |c:8,10| Show InChI InChI=1S/C18H17ClN2O2/c1-21(2)16(17(22)14-8-4-5-9-15(14)19)12-23-18(13-20)10-6-3-7-11-18/h3-10,12H,11H2,1-2H3/b16-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0180	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347764 (CHEM-US-00183 | US9790217, 86) Show SMILES Fc1c(OCc2ccc(Cl)nc2)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C22H14ClFN4O2/c23-20-9-6-15(11-26-20)13-29-18-3-1-2-17(21(18)24)22-19(12-27-28-22)30-16-7-4-14(10-25)5-8-16/h1-9,11-12H,13H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0280	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347710 (Methyl 3-[(E)-2-(4-cyanophenoxy)- 3-(dimethylamino...) Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1)C#N)=C/N(C)C Show InChI InChI=1S/C20H18N2O4/c1-22(2)13-18(26-17-9-7-14(12-21)8-10-17)19(23)15-5-4-6-16(11-15)20(24)25-3/h4-11,13H,1-3H3/b18-13+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0310	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347729 (CHEM-US-00129 | US9790217, 52) Show SMILES Cc1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)on1 Show InChI InChI=1S/C21H16N4O3/c1-14-9-19(28-25-14)13-26-18-4-2-3-16(10-18)21-20(12-23-24-21)27-17-7-5-15(11-22)6-8-17/h2-10,12H,13H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0320	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347752 (4-[[3-[3-[[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl...) Show SMILES OCC1(F)CN(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)C1 Show InChI InChI=1S/C21H19FN4O2/c22-21(14-27)12-26(13-21)11-16-2-1-3-17(8-16)20-19(10-24-25-20)28-18-6-4-15(9-23)5-7-18/h1-8,10,27H,11-14H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0360	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347745 (CHEM-US-00162 | US9790217, 70) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(COc3cccnn3)c2)cc1 Show InChI InChI=1S/C21H15N5O2/c22-12-15-6-8-18(9-7-15)28-19-13-24-26-21(19)17-4-1-3-16(11-17)14-27-20-5-2-10-23-25-20/h1-11,13H,14H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0380	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347731 (CHEM-US-00131 | US9790217, 54) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3ccncc3)c2)cc1 Show InChI InChI=1S/C22H16N4O2/c23-13-16-4-6-19(7-5-16)28-21-14-25-26-22(21)18-2-1-3-20(12-18)27-15-17-8-10-24-11-9-17/h1-12,14H,15H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0460	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347744 (4-[[3-[3-[(6-Fluoropyridin-2-yl)oxymethyl]phenyl]-...) Show SMILES Fc1cccc(OCc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C22H15FN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,13H,14H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0480	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351275 ((rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-py...) Show SMILES CC(C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0490	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347728 (US9790217, 51) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3cccnc3)c2)cc1 Show InChI InChI=1S/C22H16N4O2/c23-12-16-6-8-19(9-7-16)28-21-14-25-26-22(21)18-4-1-5-20(11-18)27-15-17-3-2-10-24-13-17/h1-11,13-14H,15H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0510	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347681 ((E)-2-(4-Chlorophenoxy)-1-(2- chlorophenyl)-3-(dim...) Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C17H15Cl2NO2/c1-20(2)11-16(22-13-9-7-12(18)8-10-13)17(21)14-5-3-4-6-15(14)19/h3-11H,1-2H3/b16-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0520	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347727 (4-[[3-[3-(Pyridin-2-ylmethoxy)phenyl]-1H-pyrazol-4...) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3ccccn3)c2)cc1 Show InChI InChI=1S/C22H16N4O2/c23-13-16-7-9-19(10-8-16)28-21-14-25-26-22(21)17-4-3-6-20(12-17)27-15-18-5-1-2-11-24-18/h1-12,14H,15H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0520	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347713 (4-[(Z)-1-(3-Benzyloxybenzoyl)-2- (dimethylamino)vi...) Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C25H22N2O3/c1-27(2)17-24(30-22-13-11-19(16-26)12-14-22)25(28)21-9-6-10-23(15-21)29-18-20-7-4-3-5-8-20/h3-15,17H,18H2,1-2H3/b24-17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0530	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351274 ((rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-py...) Show SMILES CC(C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1cc2CCC(=O)N(C)c2cc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0670	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347712 (4-[(Z)-1-(2-Chloro-3-fluoro- benzoyl)- (dimethylam...) Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(F)c1Cl Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(20)17(14)19/h3-9,11H,1-2H3/b16-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0690	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351277 ((+)-6-[4-[(1R)-1-(1-acetylpiperidin-4-yl)ethyl]-1H...) Show SMILES C[C@H](C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0740	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351263 (CHEM-US-00074 | US9796702, 24 | US9796702, 26) Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C Show InChI InChI=1S/C24H27FN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0760	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347685 ((E)-2-(4-Chlorophenoxy)-1-[2- (difluoromethoxy)phe...) Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1OC(F)F Show InChI InChI=1S/C18H16ClF2NO3/c1-22(2)11-16(24-13-9-7-12(19)8-10-13)17(23)14-5-3-4-6-15(14)25-18(20)21/h3-11,18H,1-2H3/b16-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0760	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347725 (4-[[3-(3-Hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzon...) Show SMILES Oc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C16H11N3O2/c17-9-11-4-6-14(7-5-11)21-15-10-18-19-16(15)12-2-1-3-13(20)8-12/h1-8,10,20H,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0830	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347726 (4-[[3-[3-(Hydroxymethyl)phenyl]-1H-pyrazol-4-yl]ox...) Show SMILES OCc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C17H13N3O2/c18-9-12-4-6-15(7-5-12)22-16-10-19-20-17(16)14-3-1-2-13(8-14)11-21/h1-8,10,21H,11H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0850	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347733 (CHEM-US-00133 | US9790217, 56) Show SMILES Cn1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)cn1 Show InChI InChI=1S/C21H17N5O2/c1-26-13-16(11-24-26)14-27-19-4-2-3-17(9-19)21-20(12-23-25-21)28-18-7-5-15(10-22)6-8-18/h2-9,11-13H,14H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0940	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM249226 (US9458135, 14) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2cccc(C)n2)c1 Show InChI InChI=1S/C22H21N3OS/c1-15-4-3-5-21(24-15)27-14-16-10-19(13-23-12-16)17-6-8-20-18(11-17)7-9-22(26)25(20)2/h3-6,8,10-13H,7,9,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...				US Patent US9458135 (2016) BindingDB Entry DOI: 10.7270/Q2KW5F04
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347735 (4-[[5-(3-Butoxyphenyl)-1H-pyrazol-4-yl]oxy]benzoni...) Show SMILES CCCCOc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C20H19N3O2/c1-2-3-11-24-18-6-4-5-16(12-18)20-19(14-22-23-20)25-17-9-7-15(13-21)8-10-17/h4-10,12,14H,2-3,11H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.102	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351261 (CHEM-US-00072 | US9796702, 22) Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2F)CC1 Show InChI InChI=1S/C21H27FN4O3S/c1-3-30(28,29)26-10-8-14(9-11-26)12-15-13-23-24-21(15)17-4-6-18-16(20(17)22)5-7-19(27)25(18)2/h4,6,13-14H,3,5,7-12H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.133	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347705 (4-[(E)-1-(2-Chlorobenzoyl)-2- (dimethylamino)vinyl...) Show SMILES CN(C)\C=C(\Oc1ccc(cc1F)C#N)C(=O)c1ccccc1Cl Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-17(18(23)13-5-3-4-6-14(13)19)24-16-8-7-12(10-21)9-15(16)20/h3-9,11H,1-2H3/b17-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.134	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347753 (4-[[3-[3-(Morpholin-4-ylmethyl)phenyl]-1H-pyrazol-...) Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(CN3CCOCC3)c2)cc1 Show InChI InChI=1S/C21H20N4O2/c22-13-16-4-6-19(7-5-16)27-20-14-23-24-21(20)18-3-1-2-17(12-18)15-25-8-10-26-11-9-25/h1-7,12,14H,8-11,15H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.139	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347692 ((E)-2-(4-Chlorophenoxy)-1-(2,4- difluorophenyl)-3-...) Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F Show InChI InChI=1S/C17H14ClF2NO2/c1-21(2)10-16(23-13-6-3-11(18)4-7-13)17(22)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3/b16-10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.159	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347724 (CHEM-US-00117 | US9790217, 47) Show SMILES OCC1CN(C1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C21H18N4O3/c22-9-14-4-6-18(7-5-14)28-19-10-23-24-20(19)16-2-1-3-17(8-16)21(27)25-11-15(12-25)13-26/h1-8,10,15,26H,11-13H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.159	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347706 ((E)-1-[(2,3-Difluorobenzoyl)-2-(dimethylamino)viny...) Show SMILES CN(C)C(=C\OC1(CC=CC=C1)C#N)\C(=O)c1cccc(F)c1F |c:8,10| Show InChI InChI=1S/C18H16F2N2O2/c1-22(2)15(11-24-18(12-21)9-4-3-5-10-18)17(23)13-7-6-8-14(19)16(13)20/h3-9,11H,10H2,1-2H3/b15-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.161	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347686 ((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-fl...) Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1F Show InChI InChI=1S/C17H15ClFNO2/c1-20(2)11-16(22-13-9-7-12(18)8-10-13)17(21)14-5-3-4-6-15(14)19/h3-11H,1-2H3/b16-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.167	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347759 (CHEM-US-00176 | US9790217, 81) Show SMILES Cn1nncc1COc1ccccc1-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C20H16N6O2/c1-26-15(11-23-25-26)13-27-18-5-3-2-4-17(18)20-19(12-22-24-20)28-16-8-6-14(10-21)7-9-16/h2-9,11-12H,13H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.171	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351260 (6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...) Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.184	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347707 (4-[(E)-1-(3-Chloro-2-fluoro- benzoyl)-2- (dimethyl...) Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1F Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(19)17(14)20/h3-9,11H,1-2H3/b16-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.191	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347730 (CHEM-US-00130 | US9790217, 53) Show SMILES Cn1nncc1COc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C20H16N6O2/c1-26-16(11-23-25-26)13-27-18-4-2-3-15(9-18)20-19(12-22-24-20)28-17-7-5-14(10-21)6-8-17/h2-9,11-12H,13H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.198	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351278 (5-Chloro-6-[4-[(2-ethylsulfonyl-2-azaspiro[3.3]hep...) Show SMILES CCS(=O)(=O)N1CC2(CC(Cc3c[nH]nc3-c3ccc4N(C)C(=O)CCc4c3Cl)C2)C1 Show InChI InChI=1S/C22H27ClN4O3S/c1-3-31(29,30)27-12-22(13-27)9-14(10-22)8-15-11-24-25-21(15)17-4-6-18-16(20(17)23)5-7-19(28)26(18)2/h4,6,11,14H,3,5,7-10,12-13H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.215	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351257 (6-[4-[(1-Ethylsulfonyl-4-piperidyl)methyl]-1H-pyra...) Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2)CC1 Show InChI InChI=1S/C21H28N4O3S/c1-3-29(27,28)25-10-8-15(9-11-25)12-18-14-22-23-21(18)17-4-6-19-16(13-17)5-7-20(26)24(19)2/h4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.216	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347711 ((E)-1-(2-Chloro-3-fluoro-phenyl)-2- (4-chloropheno...) Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1Cl Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-15(23-12-8-6-11(18)7-9-12)17(22)13-4-3-5-14(20)16(13)19/h3-10H,1-2H3/b15-10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.262	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM351018 (6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O Show InChI InChI=1S/C21H26N4O2/c1-14(26)25-9-7-15(8-10-25)11-18-13-22-23-21(18)17-3-5-19-16(12-17)4-6-20(27)24(19)2/h3,5,12-13,15H,4,6-11H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.266	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9796702 (2017) BindingDB Entry DOI: 10.7270/Q2DB840G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347732 (CHEM-US-00132 | US9790217, 55) Show SMILES Clc1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)ccn1 Show InChI InChI=1S/C22H15ClN4O2/c23-21-10-16(8-9-25-21)14-28-19-3-1-2-17(11-19)22-20(13-26-27-22)29-18-6-4-15(12-24)5-7-18/h1-11,13H,14H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.288	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM347715 (Methyl 3-[(Z)-2-(4-cyano-2-fluoro- phenoxy)-3-(dim...) Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1F)C#N)=C\N(C)C Show InChI InChI=1S/C20H17FN2O4/c1-23(2)12-18(27-17-8-7-13(11-22)9-16(17)21)19(24)14-5-4-6-15(10-14)20(25)26-3/h4-10,12H,1-3H3/b18-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.321	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 fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair

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