Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 2362   

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM232938 (US9351973, 7 | US9844553, 7) Show SMILES Cc1c(nn2CCC(=O)Nc12)-c1cncc(C)c1 Show InChI InChI=1S/C13H14N4O/c1-8-5-10(7-14-6-8)12-9(2)13-15-11(18)3-4-17(13)16-12/h5-7H,3-4H2,1-2H3,(H,15,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232940 (US9351973, 9 | US9844553, 9) Show SMILES CCc1c(nn2CCC(=O)N(C)c12)-c1cncc(C)c1 Show InChI InChI=1S/C15H18N4O/c1-4-12-14(11-7-10(2)8-16-9-11)17-19-6-5-13(20)18(3)15(12)19/h7-9H,4-6H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232939 (US9351973, 8 | US9844553, 8) Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(C)c1 Show InChI InChI=1S/C14H16N4O/c1-9-6-11(8-15-7-9)13-10(2)14-17(3)12(19)4-5-18(14)16-13/h6-8H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232943 (US9351973, 13 | US9844553, 13) Show SMILES CCc1c2NC(=O)CCn2nc1-c1cncc(F)c1 Show InChI InChI=1S/C13H13FN4O/c1-2-10-12(8-5-9(14)7-15-6-8)17-18-4-3-11(19)16-13(10)18/h5-7H,2-4H2,1H3,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232941 (US9351973, 10 | US9844553, 10) Show SMILES Cc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1 Show InChI InChI=1S/C15H16N4O/c1-9-6-11(8-16-7-9)14-13(10-2-3-10)15-17-12(20)4-5-19(15)18-14/h6-8,10H,2-5H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232942 (US9351973, 12 | US9844553, 12) Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(F)c1 Show InChI InChI=1S/C13H13FN4O/c1-8-12(9-5-10(14)7-15-6-9)16-18-4-3-11(19)17(2)13(8)18/h5-7H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232944 (US9351973, 15 | US9844553, 15) Show SMILES Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1 Show InChI InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232945 (US9351973, 19 | US9844553, 19) Show SMILES Fc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1 Show InChI InChI=1S/C14H13FN4O/c15-10-5-9(6-16-7-10)13-12(8-1-2-8)14-17-11(20)3-4-19(14)18-13/h5-8H,1-4H2,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232946 (US9351973, 26 | US9844553, 26) Show SMILES Clc1cncc(c1)-c1nn2CCC(=O)Nc2c1C#N Show InChI InChI=1S/C12H8ClN5O/c13-8-3-7(5-15-6-8)11-9(4-14)12-16-10(19)1-2-18(12)17-11/h3,5-6H,1-2H2,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM362864 (2-(5-methylpyridin-3-yl)-5-oxo-4,5,6,7- tetrahydro...) Show SMILES Cc1cncc(c1)-c1nn2CCC(=O)Nc2c1C#N Show InChI InChI=1S/C13H11N5O/c1-8-4-9(7-15-6-8)12-10(5-14)13-16-11(19)2-3-18(13)17-12/h4,6-7H,2-3H2,1H3,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232941 (US9351973, 10 | US9844553, 10) Show SMILES Cc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1 Show InChI InChI=1S/C15H16N4O/c1-9-6-11(8-16-7-9)14-13(10-2-3-10)15-17-12(20)4-5-19(15)18-14/h6-8,10H,2-5H2,1H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM232945 (US9351973, 19 | US9844553, 19) Show SMILES Fc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1 Show InChI InChI=1S/C14H13FN4O/c15-10-5-9(6-16-7-10)13-12(8-1-2-8)14-17-11(20)3-4-19(14)18-13/h5-8H,1-4H2,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232938 (US9351973, 7 | US9844553, 7) Show SMILES Cc1c(nn2CCC(=O)Nc12)-c1cncc(C)c1 Show InChI InChI=1S/C13H14N4O/c1-8-5-10(7-14-6-8)12-9(2)13-15-11(18)3-4-17(13)16-12/h5-7H,3-4H2,1-2H3,(H,15,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232946 (US9351973, 26 | US9844553, 26) Show SMILES Clc1cncc(c1)-c1nn2CCC(=O)Nc2c1C#N Show InChI InChI=1S/C12H8ClN5O/c13-8-3-7(5-15-6-8)11-9(4-14)12-16-10(19)1-2-18(12)17-11/h3,5-6H,1-2H2,(H,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232943 (US9351973, 13 | US9844553, 13) Show SMILES CCc1c2NC(=O)CCn2nc1-c1cncc(F)c1 Show InChI InChI=1S/C13H13FN4O/c1-2-10-12(8-5-9(14)7-15-6-8)17-18-4-3-11(19)16-13(10)18/h5-7H,2-4H2,1H3,(H,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232942 (US9351973, 12 | US9844553, 12) Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(F)c1 Show InChI InChI=1S/C13H13FN4O/c1-8-12(9-5-10(14)7-15-6-9)16-18-4-3-11(19)17(2)13(8)18/h5-7H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232940 (US9351973, 9 | US9844553, 9) Show SMILES CCc1c(nn2CCC(=O)N(C)c12)-c1cncc(C)c1 Show InChI InChI=1S/C15H18N4O/c1-4-12-14(11-7-10(2)8-16-9-11)17-19-6-5-13(20)18(3)15(12)19/h7-9H,4-6H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232944 (US9351973, 15 | US9844553, 15) Show SMILES Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1 Show InChI InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM232939 (US9351973, 8 | US9844553, 8) Show SMILES CN1c2c(C)c(nn2CCC1=O)-c1cncc(C)c1 Show InChI InChI=1S/C14H16N4O/c1-9-6-11(8-15-7-9)13-10(2)14-17(3)12(19)4-5-18(14)16-13/h6-8H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...				US Patent US9844553 (2017) BindingDB Entry DOI: 10.7270/Q2J67K61
					More data for this Ligand-Target Pair