Compile Data Set for Download or QSAR

Found 10 hits of ic50 for UniProtKB: P33261   

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 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461264 (US10774056, Compound 028 | US11542242, Compound 02...) Show SMILES CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C22H24N6O/c1-27-10-12-28(13-11-27)18-3-5-20(25-15-18)22(29)26-21-14-17(2-4-19(21)23)16-6-8-24-9-7-16/h2-9,14-15H,10-13,23H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461268 (US10774056, Compound 032 | US11542242, Compound 03...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccncc1 Show InChI InChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)17-12-23-19(27-17)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461258 (US10774056, Compound 007 | US11542242, Compound 00...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1cccs1 Show InChI InChI=1S/C20H21N5OS/c21-16-5-3-14(18-2-1-11-27-18)12-17(16)24-20(26)15-4-6-19(23-13-15)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461260 (US10774056, Compound 022 | US11542242, Compound 02...) Show SMILES Nc1ccc(cc1NC(=O)c1cc2ccc(cc2cn1)N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C26H25N5O/c27-23-9-7-19(18-4-2-1-3-5-18)15-24(23)30-26(32)25-16-20-6-8-22(14-21(20)17-29-25)31-12-10-28-11-13-31/h1-9,14-17,28H,10-13,27H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461263 (US10774056, Compound 027 | US11542242, Compound 02...) Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C22H24N6O/c1-27-10-12-28(13-11-27)21-5-3-18(15-25-21)22(29)26-20-14-17(2-4-19(20)23)16-6-8-24-9-7-16/h2-9,14-15H,10-13,23H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461266 (US10774056, Compound 030 | US11542242, Compound 03...) Show SMILES CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H21N5OS2/c1-23-6-8-24(9-7-23)19-21-12-17(27-19)18(25)22-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-12H,6-9,20H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461267 (US10774056, Compound 031 | US11542242, Compound 03...) Show SMILES Cc1nc(sc1C(=O)Nc1cc(ccc1N)-c1cccs1)N1CCNCC1 Show InChI InChI=1S/C19H21N5OS2/c1-12-17(27-19(22-12)24-8-6-21-7-9-24)18(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461257 (US10774056, Compound 006 | US11542242, Compound 00...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C22H23N5O/c23-19-8-6-17(16-4-2-1-3-5-16)14-20(19)26-22(28)18-7-9-21(25-15-18)27-12-10-24-11-13-27/h1-9,14-15,24H,10-13,23H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461256 (US10774056, Compound 003 | US11542242, Compound 00...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccco1 Show InChI InChI=1S/C24H23N5O2/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair
Cytochrome P450 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461261 (US10774056, Compound 025 | US11542242, Compound 02...) Show SMILES Nc1ccc(cc1NC(=O)c1cnc2cc(ccc2c1)N1CCNCC1)-c1ccoc1 Show InChI InChI=1S/C24H23N5O2/c25-21-4-2-16(18-5-10-31-15-18)12-23(21)28-24(30)19-11-17-1-3-20(13-22(17)27-14-19)29-8-6-26-7-9-29/h1-5,10-15,26H,6-9,25H2,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
					More data for this Ligand-Target Pair