Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'dina' and Initial = 'ms'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16633 (6-[(5-fluoro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9FN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16634 (6-{[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-]s...) Show SMILES Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C14H9F3N2O4S/c1-7-9-6-8(14(15,16)17)2-3-10(9)23-13(7)24(21,22)12-5-4-11(20)18-19-12/h2-6H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16636 (6-[(5-chloro-3-ethyl-1-benzofuran-2-)sulfonyl]-2,3...) Show SMILES CCc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C14H11ClN2O4S/c1-2-9-10-7-8(15)3-4-11(10)21-14(9)22(19,20)13-6-5-12(18)16-17-13/h3-7H,2H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302111 (CHEMBL572255 | N-(4-chloro-3-(1-methyl-1H-benzo[d]...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C)C(F)(F)F Show InChI InChI=1S/C22H16ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h3-11H,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302139 (CHEMBL570273 | N-(3-(1H-benzo[d]imidazol-2-yl)-4-c...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16635 (6-[(3,5-dimethyl-1-benzofuran-2-)sulfonyl]-2,3-dih...) Show SMILES Cc1c(oc2ccc(C)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C14H12N2O4S/c1-8-3-4-11-10(7-8)9(2)14(20-11)21(18,19)13-6-5-12(17)15-16-13/h3-7H,1-2H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16638 (6-(3-Phenylbenzofuran-2-sulfonyl)-2H-pyridazin-3-o...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1oc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C18H12N2O4S/c21-15-10-11-16(20-19-15)25(22,23)18-17(12-6-2-1-3-7-12)13-8-4-5-9-14(13)24-18/h1-11H,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16457 (6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...) Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16457 (6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...) Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16620 (6-{[(2-chloro-6-fluorophenyl)methane]sulfonyl}-2,3...) Show SMILES Fc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C11H8ClFN2O3S/c12-8-2-1-3-9(13)7(8)6-19(17,18)11-5-4-10(16)14-15-11/h1-5H,6H2,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50102724 (4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-piperazine-...) Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)S(=O)(=O)N(C)C Show InChI InChI=1S/C12H21N5O3S/c1-10(18)12-13-5-4-11(14-12)16-6-8-17(9-7-16)21(19,20)15(2)3/h4-5,10,18H,6-9H2,1-3H3/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human SDH				J Med Chem 44: 2695-700 (2001) BindingDB Entry DOI: 10.7270/Q21G0KJZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16640 (6-[(5-chloro-3-phenyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Clc1ccc2oc(c(-c3ccccc3)c2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C18H11ClN2O4S/c19-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)18(25-14)26(23,24)16-9-8-15(22)20-21-16/h1-10H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16616 (6-{[(2,3-dichlorophenyl)methane]sulfonyl}-2,3-dihy...) Show SMILES Clc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1Cl Show InChI InChI=1S/C11H8Cl2N2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302138 (CHEMBL570712 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C19H15ClN2O3S/c1-26(24,25)15-8-5-13(6-9-15)19(23)22-14-7-10-17(20)16(12-14)18-4-2-3-11-21-18/h2-12H,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302123 (CHEMBL571353 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C19H13ClF3N3O/c1-11-13(6-8-17(25-11)19(21,22)23)18(27)26-12-5-7-15(20)14(10-12)16-4-2-3-9-24-16/h2-10H,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16622 (6-({[2-fluoro-3-(trifluoromethyl)phenyl]methane}su...) Show SMILES Fc1c(CS(=O)(=O)c2ccc(=O)[nH]n2)cccc1C(F)(F)F Show InChI InChI=1S/C12H8F4N2O3S/c13-11-7(2-1-3-8(11)12(14,15)16)6-22(20,21)10-5-4-9(19)17-18-10/h1-5H,6H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16639 (6-{[3-(4-fluorophenyl)-1-benzofuran-2-]sulfonyl}-2...) Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C18H11FN2O4S/c19-12-7-5-11(6-8-12)17-13-3-1-2-4-14(13)25-18(17)26(23,24)16-10-9-15(22)20-21-16/h1-10H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16604 (6-[(2,6-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...) Show SMILES Clc1cccc(Cl)c1S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-2-1-3-7(12)10(6)18(16,17)9-5-4-8(15)13-14-9/h1-5H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16617 (6-{[(2,6-dichlorophenyl)methane]sulfonyl}-2,3-dihy...) Show SMILES Clc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C11H8Cl2N2O3S/c12-8-2-1-3-9(13)7(8)6-19(17,18)11-5-4-10(16)14-15-11/h1-5H,6H2,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302128 (CHEMBL570936 | N-(4-chloro-3-(quinoxalin-2-yl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cnc2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16621 (6-{[(3-chloro-2-fluorophenyl)methane]sulfonyl}-2,3...) Show SMILES Fc1c(Cl)cccc1CS(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C11H8ClFN2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16642 (6-[(5-chloro-3-methyl-1-benzothiophene-2-)sulfonyl...) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O3S2/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16602 (6-[(2,3-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...) Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-2-1-3-7(10(6)12)18(16,17)9-5-4-8(15)13-14-9/h1-5H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302113 (CHEMBL572005 | N-(3-(benzo[d]thiazol-2-yl)-4-chlor...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1)C(F)(F)F Show InChI InChI=1S/C21H13ClF3N3OS/c1-11-13(7-9-18(26-11)21(23,24)25)19(29)27-12-6-8-15(22)14(10-12)20-28-16-4-2-3-5-17(16)30-20/h2-10H,1H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16615 (6-({[3-(trifluoromethyl)phenyl]methane}sulfonyl)-2...) Show SMILES FC(F)(F)c1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1 Show InChI InChI=1S/C12H9F3N2O3S/c13-12(14,15)9-3-1-2-8(6-9)7-21(19,20)11-5-4-10(18)16-17-11/h1-6H,7H2,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16603 (6-[(2,5-dichlorobenzene)sulfonyl]-2,3-dihydropyrid...) Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C10H6Cl2N2O3S/c11-6-1-2-7(12)8(5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302115 (CHEMBL569818 | N-(4-chloro-3-(2H-indazol-2-yl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-n1cc2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-12-15(7-9-19(26-12)21(23,24)25)20(30)27-14-6-8-16(22)18(10-14)29-11-13-4-2-3-5-17(13)28-29/h2-11H,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16631 (6-[(5,7-dichloro-1-benzofuran-2-)sulfonyl]-2,3-dih...) Show SMILES Clc1cc(Cl)c2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C12H6Cl2N2O4S/c13-7-3-6-4-11(20-12(6)8(14)5-7)21(18,19)10-2-1-9(17)15-16-10/h1-5H,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16637 (6-{[5-chloro-3-(propan-2-yl)-1-benzofuran-2-]sulfo...) Show SMILES CC(C)c1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C15H13ClN2O4S/c1-8(2)14-10-7-9(16)3-4-11(10)22-15(14)23(20,21)13-6-5-12(19)17-18-13/h3-8H,1-2H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302134 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)benzam...) Show SMILES Clc1ccccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C18H12Cl2N2O/c19-15-6-2-1-5-13(15)18(23)22-12-8-9-16(20)14(11-12)17-7-3-4-10-21-17/h1-11H,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16612 (6-{[(2-chlorophenyl)methane]sulfonyl}-2,3-dihydrop...) Show SMILES Clc1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C11H9ClN2O3S/c12-9-4-2-1-3-8(9)7-18(16,17)11-6-5-10(15)13-14-11/h1-6H,7H2,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302137 (CHEMBL570711 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C19H15ClN2O3S/c1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18/h2-12H,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302129 (CHEMBL570044 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...) Show SMILES Cc1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(C)n1 Show InChI InChI=1S/C19H16ClN3O/c1-12-6-8-15(13(2)22-12)19(24)23-14-7-9-17(20)16(11-14)18-5-3-4-10-21-18/h3-11H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16451 (6-[(4-bromo-2-fluorobenzene)sulfonyl]-2,3-dihydrop...) Show SMILES Fc1cc(Br)ccc1S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302118 (CHEMBL571352 | N-(4-chloro-3-(phenylcarbamoyl)phen...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1ccccc1)C(F)(F)F Show InChI InChI=1S/C21H15ClF3N3O2/c1-12-15(8-10-18(26-12)21(23,24)25)19(29)28-14-7-9-17(22)16(11-14)20(30)27-13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16629 (6-(3-Methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-o...) Show SMILES Cc1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H10N2O4S/c1-8-9-4-2-3-5-10(9)19-13(8)20(17,18)12-7-6-11(16)14-15-12/h2-7H,1H3,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16451 (6-[(4-bromo-2-fluorobenzene)sulfonyl]-2,3-dihydrop...) Show SMILES Fc1cc(Br)ccc1S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16456 (6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16455 (6-(1-benzothiophene-2-sulfonyl)-2,3-dihydropyridaz...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C12H8N2O3S2/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16456 (6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302112 (CHEMBL583479 | N-(4-chloro-3-(1-methyl-4,5,6,7-tet...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2CCCCc2n1C)C(F)(F)F Show InChI InChI=1S/C22H20ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h7-11H,3-6H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16609 (6-(alpha-Naphthylmethylbenzenesulfonyl)-2H-pyridaz...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1Cc1cccc2ccccc12 Show InChI InChI=1S/C21H16N2O3S/c24-20-12-13-21(23-22-20)27(25,26)19-11-4-2-7-17(19)14-16-9-5-8-15-6-1-3-10-18(15)16/h1-13H,14H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16641 (6-[(5-methyl-1-benzothiophene-2-)sulfonyl]-2,3-dih...) Show SMILES Cc1ccc2sc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H10N2O3S2/c1-8-2-3-10-9(6-8)7-13(19-10)20(17,18)12-5-4-11(16)14-15-12/h2-7H,1H3,(H,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16444 (6-[(2-chlorobenzene)sulfonyl]-2,3-dihydropyridazin...) Show SMILES Clc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-4-8(7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50302114 (CHEMBL569817 | N-(4-chloro-3-(pyrazolo[1,5-a]pyrid...) Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cc2ccccn2n1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-12-15(6-8-19(26-12)21(23,24)25)20(30)27-13-5-7-17(22)16(10-13)18-11-14-4-2-3-9-29(14)28-18/h2-11H,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay				Bioorg Med Chem Lett 19: 5576-81 (2009) Article DOI: 10.1016/j.bmcl.2009.08.049 BindingDB Entry DOI: 10.7270/Q21R6QMJ
					More data for this Ligand-Target Pair

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