Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'kumazawa' and Initial = 't'   

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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002099 (CHEMBL366965 | Dimethyl-[3-(2-methyl-6H-dibenzo[b,...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(C)cc12 Show InChI InChI=1S/C20H23NO/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002083 (2-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CCO)cc12 Show InChI InChI=1S/C21H25NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,14,23H,5,11-13,15H2,1-2H3/b19-8+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002102 (2-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CCO)cc12 Show InChI InChI=1S/C21H25NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,14,23H,5,11-13,15H2,1-2H3/b19-8-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002103 (3-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CCC(O)=O)cc12 Show InChI InChI=1S/C22H25NO3/c1-23(2)13-5-8-19-18-7-4-3-6-17(18)15-26-21-11-9-16(14-20(19)21)10-12-22(24)25/h3-4,6-9,11,14H,5,10,12-13,15H2,1-2H3,(H,24,25)/b19-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002095 (11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibe...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-10-9-14(20(22)23)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002085 (CHEMBL304185 | [11-(4-Dimethylamino-butylidene)-6,...) Show SMILES CN(C)CCC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C22H25NO3/c1-23(2)12-6-5-9-19-18-8-4-3-7-17(18)15-26-21-11-10-16(13-20(19)21)14-22(24)25/h3-4,7-11,13H,5-6,12,14-15H2,1-2H3,(H,24,25)/b19-9-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002086 (11-(3-Pyrrolidin-1-yl-propylidene)-6,11-dihydro-di...) Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C\CCN3CCCC3)c2c1 Show InChI InChI=1S/C22H23NO3/c24-22(25)16-9-10-21-20(14-16)19(8-5-13-23-11-3-4-12-23)18-7-2-1-6-17(18)15-26-21/h1-2,6-10,14H,3-5,11-13,15H2,(H,24,25)/b19-8-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002093 (CHEMBL65699 | [11-(3-Dimethylamino-propylidene)-6,...) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002097 (11-(4-Dimethylamino-butylidene)-6,11-dihydro-diben...) Show SMILES CN(C)CCC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C21H23NO3/c1-22(2)12-6-5-9-18-17-8-4-3-7-16(17)14-25-20-11-10-15(21(23)24)13-19(18)20/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,23,24)/b18-9-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002098 (11-(4-Dimethylamino-butylidene)-6,11-dihydro-diben...) Show SMILES CN(C)CCC\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C21H23NO3/c1-22(2)12-6-5-9-18-17-8-4-3-7-16(17)14-25-20-11-10-15(21(23)24)13-19(18)20/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,23,24)/b18-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002092 (11-(3-Thiomorpholin-4-yl-propylidene)-6,11-dihydro...) Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C\CCN3CCSCC3)c2c1 Show InChI InChI=1S/C22H23NO3S/c24-22(25)16-7-8-21-20(14-16)19(6-3-9-23-10-12-27-13-11-23)18-5-2-1-4-17(18)15-26-21/h1-2,4-8,14H,3,9-13,15H2,(H,24,25)/b19-6-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002100 (11-(3-Diethylamino-propylidene)-6,11-dihydro-diben...) Show SMILES CCN(CC)CC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C22H25NO3/c1-3-23(4-2)13-7-10-19-18-9-6-5-8-17(18)15-26-21-12-11-16(22(24)25)14-20(19)21/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3,(H,24,25)/b19-10-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002088 (CHEMBL302005 | [11-(2-Dimethylamino-ethylidene)-6,...) Show SMILES CN(C)C\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C20H21NO3/c1-21(2)10-9-17-16-6-4-3-5-15(16)13-24-19-8-7-14(11-18(17)19)12-20(22)23/h3-9,11H,10,12-13H2,1-2H3,(H,22,23)/b17-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002101 (11-(2-Dimethylamino-ethylidene)-6,11-dihydro-diben...) Show SMILES CN(C)C\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C19H19NO3/c1-20(2)10-9-16-15-6-4-3-5-14(15)12-23-18-8-7-13(19(21)22)11-17(16)18/h3-9,11H,10,12H2,1-2H3,(H,21,22)/b16-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002084 (11-(2-Dimethylamino-ethylsulfanyl)-6,11-dihydro-di...) Show SMILES CN(C)CCSC1c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C19H21NO3S/c1-20(2)9-10-24-18-15-6-4-3-5-14(15)12-23-17-8-7-13(19(21)22)11-16(17)18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002089 (3-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CCC(O)=O)cc12 Show InChI InChI=1S/C22H25NO3/c1-23(2)13-5-8-19-18-7-4-3-6-17(18)15-26-21-11-9-16(14-20(19)21)10-12-22(24)25/h3-4,6-9,11,14H,5,10,12-13,15H2,1-2H3,(H,24,25)/b19-8-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002096 (ALO-4943A | CHEMBL1719 | KW-4679 | OLOPATADINE HYD...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002091 (11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibe...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-10-9-14(20(22)23)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002090 (11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibe...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2cc(ccc12)C(O)=O Show InChI InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-12-14(20(22)23)9-10-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002094 (3-[11-(3-Dimethylamino-propylidene)-6,11-dihydro-d...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C22H23NO3/c1-23(2)13-5-8-19-18-7-4-3-6-17(18)15-26-21-11-9-16(14-20(19)21)10-12-22(24)25/h3-4,6-12,14H,5,13,15H2,1-2H3,(H,24,25)/b12-10+,19-8-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM				J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50227346 (CHEMBL319928) Show SMILES CCN(CC)CCNC1c2cccnc2COc2ccccc12 Show InChI InChI=1S/C19H25N3O/c1-3-22(4-2)13-12-21-19-15-9-7-11-20-17(15)14-23-18-10-6-5-8-16(18)19/h5-11,19,21H,3-4,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity was measured for Muscarinic acetylcholine receptor				J Med Chem 31: 779-85 (1988) BindingDB Entry DOI: 10.7270/Q2FN18D8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50227346 (CHEMBL319928) Show SMILES CCN(CC)CCNC1c2cccnc2COc2ccccc12 Show InChI InChI=1S/C19H25N3O/c1-3-22(4-2)13-12-21-19-15-9-7-11-20-17(15)14-23-18-10-6-5-8-16(18)19/h5-11,19,21H,3-4,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity was measured for Muscarinic acetylcholine receptor				J Med Chem 31: 779-85 (1988) BindingDB Entry DOI: 10.7270/Q2FN18D8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50227346 (CHEMBL319928) Show SMILES CCN(CC)CCNC1c2cccnc2COc2ccccc12 Show InChI InChI=1S/C19H25N3O/c1-3-22(4-2)13-12-21-19-15-9-7-11-20-17(15)14-23-18-10-6-5-8-16(18)19/h5-11,19,21H,3-4,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity was measured for Muscarinic acetylcholine receptor				J Med Chem 31: 779-85 (1988) BindingDB Entry DOI: 10.7270/Q2FN18D8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50032282 (4-(2-{(E)-3-[1-(1-Propyl-butyl)-1H-indol-5-yl]-but...) Show SMILES CCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-4-9-24(10-5-2)31-17-16-23-20-22(14-15-26(23)31)21(3)19-28(32)30-25-11-6-7-12-27(25)35-18-8-13-29(33)34/h6-7,11-12,14-17,19-20,24H,4-5,8-10,13,18H2,1-3H3,(H,30,32)(H,33,34)/b21-19+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50032297 (4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-i...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N2O4/c1-23(21-33(40)38-30-5-2-3-6-32(30)43-20-4-7-34(41)42)26-12-17-31-27(22-26)18-19-39(31)35(24-8-13-28(36)14-9-24)25-10-15-29(37)16-11-25/h2-3,5-6,8-19,21-22,35H,4,7,20H2,1H3,(H,38,40)(H,41,42)/b23-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470304 (CHEMBL98478) Show SMILES C\C(=C/C(=O)Nc1ccc(F)cc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H31FN2O4/c1-24(21-33(39)37-30-16-15-29(36)23-32(30)42-20-8-13-34(40)41)27-14-17-31-28(22-27)18-19-38(31)35(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-19,21-23,35H,8,13,20H2,1H3,(H,37,39)(H,40,41)/b24-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50032281 (4-(2-{(E)-3-[1-(1-Propyl-pentyl)-1H-indol-5-yl]-bu...) Show SMILES CCCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C30H38N2O4/c1-4-6-11-25(10-5-2)32-18-17-24-21-23(15-16-27(24)32)22(3)20-29(33)31-26-12-7-8-13-28(26)36-19-9-14-30(34)35/h7-8,12-13,15-18,20-21,25H,4-6,9-11,14,19H2,1-3H3,(H,31,33)(H,34,35)/b22-20+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50032288 (4-{2-[(E)-3-(1-Benzhydryl-1H-indol-5-yl)-but-2-eno...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N2O4/c1-25(23-33(38)36-30-15-8-9-16-32(30)41-22-10-17-34(39)40)28-18-19-31-29(24-28)20-21-37(31)35(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-9,11-16,18-21,23-24,35H,10,17,22H2,1H3,(H,36,38)(H,39,40)/b25-23+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470291 (CHEMBL95410) Show SMILES CCCCC(C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H34N2O4/c1-4-5-9-21(3)30-16-15-23-19-22(13-14-25(23)30)20(2)18-27(31)29-24-10-6-7-11-26(24)34-17-8-12-28(32)33/h6-7,10-11,13-16,18-19,21H,4-5,8-9,12,17H2,1-3H3,(H,29,31)(H,32,33)/b20-18+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470283 (CHEMBL421752) Show SMILES CC(C)CC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C33H36N2O4/c1-23(2)20-30(25-10-5-4-6-11-25)35-18-17-27-22-26(15-16-29(27)35)24(3)21-32(36)34-28-12-7-8-13-31(28)39-19-9-14-33(37)38/h4-8,10-13,15-18,21-23,30H,9,14,19-20H2,1-3H3,(H,34,36)(H,37,38)/b24-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040815 (2-Methylsulfanyl-6,11-dihydro-dibenzo[b,e]oxepine-...) Show SMILES CSc1ccc2OCc3ccccc3C(C(=O)Nc3c(cccc3C(C)C)C(C)C)c2c1 Show InChI InChI=1S/C28H31NO2S/c1-17(2)21-11-8-12-22(18(3)4)27(21)29-28(30)26-23-10-7-6-9-19(23)16-31-25-14-13-20(32-5)15-24(25)26/h6-15,17-18,26H,16H2,1-5H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470301 (CHEMBL99824) Show SMILES CCCCC(CC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-4-6-10-24(5-2)31-17-16-23-20-22(14-15-26(23)31)21(3)19-28(32)30-25-11-7-8-12-27(25)35-18-9-13-29(33)34/h7-8,11-12,14-17,19-20,24H,4-6,9-10,13,18H2,1-3H3,(H,30,32)(H,33,34)/b21-19+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470289 (CHEMBL96030) Show SMILES CCCC(C(C)C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-5-9-25(20(2)3)31-16-15-23-19-22(13-14-26(23)31)21(4)18-28(32)30-24-10-6-7-11-27(24)35-17-8-12-29(33)34/h6-7,10-11,13-16,18-20,25H,5,8-9,12,17H2,1-4H3,(H,30,32)(H,33,34)/b21-18+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470272 (CHEMBL431270) Show SMILES CCCC(C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C27H32N2O4/c1-4-8-20(3)29-15-14-22-18-21(12-13-24(22)29)19(2)17-26(30)28-23-9-5-6-10-25(23)33-16-7-11-27(31)32/h5-6,9-10,12-15,17-18,20H,4,7-8,11,16H2,1-3H3,(H,28,30)(H,31,32)/b19-17+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50032264 (4-(2-{(E)-3-[1-(1-Isobutyl-3-methyl-butyl)-1H-indo...) Show SMILES CC(C)CC(CC(C)C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C31H40N2O4/c1-21(2)17-26(18-22(3)4)33-15-14-25-20-24(12-13-28(25)33)23(5)19-30(34)32-27-9-6-7-10-29(27)37-16-8-11-31(35)36/h6-7,9-10,12-15,19-22,26H,8,11,16-18H2,1-5H3,(H,32,34)(H,35,36)/b23-19+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470263 (CHEMBL99811) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C36H31F3N2O4/c1-24(22-33(42)40-30-10-5-6-11-32(30)45-21-7-12-34(43)44)27-15-18-31-28(23-27)19-20-41(31)35(25-8-3-2-4-9-25)26-13-16-29(17-14-26)36(37,38)39/h2-6,8-11,13-20,22-23,35H,7,12,21H2,1H3,(H,40,42)(H,43,44)/b24-22+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470293 (CHEMBL329690) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C37H36N2O4/c1-25-10-14-28(15-11-25)37(29-16-12-26(2)13-17-29)39-21-20-31-24-30(18-19-33(31)39)27(3)23-35(40)38-32-7-4-5-8-34(32)43-22-6-9-36(41)42/h4-5,7-8,10-21,23-24,37H,6,9,22H2,1-3H3,(H,38,40)(H,41,42)/b27-23+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470268 (CHEMBL319506) Show SMILES COc1ccc(cc1)C(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C36H34N2O5/c1-25(23-34(39)37-31-11-6-7-12-33(31)43-22-8-13-35(40)41)28-16-19-32-29(24-28)20-21-38(32)36(26-9-4-3-5-10-26)27-14-17-30(42-2)18-15-27/h3-7,9-12,14-21,23-24,36H,8,13,22H2,1-2H3,(H,37,39)(H,40,41)/b25-23+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470260 (CHEMBL99860) Show SMILES CCCC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C32H34N2O4/c1-3-10-28(24-11-5-4-6-12-24)34-19-18-26-22-25(16-17-29(26)34)23(2)21-31(35)33-27-13-7-8-14-30(27)38-20-9-15-32(36)37/h4-8,11-14,16-19,21-22,28H,3,9-10,15,20H2,1-2H3,(H,33,35)(H,36,37)/b23-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470274 (CHEMBL319549) Show SMILES CCCC(CC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H34N2O4/c1-4-9-23(5-2)30-16-15-22-19-21(13-14-25(22)30)20(3)18-27(31)29-24-10-6-7-11-26(24)34-17-8-12-28(32)33/h6-7,10-11,13-16,18-19,23H,4-5,8-9,12,17H2,1-3H3,(H,29,31)(H,32,33)/b20-18+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470303 (CHEMBL319505) Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C37H36N2O6/c1-25(23-35(40)38-32-7-4-5-8-34(32)45-22-6-9-36(41)42)28-14-19-33-29(24-28)20-21-39(33)37(26-10-15-30(43-2)16-11-26)27-12-17-31(44-3)18-13-27/h4-5,7-8,10-21,23-24,37H,6,9,22H2,1-3H3,(H,38,40)(H,41,42)/b25-23+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470277 (CHEMBL97506) Show SMILES CCCCC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C33H36N2O4/c1-3-4-14-29(25-11-6-5-7-12-25)35-20-19-27-23-26(17-18-30(27)35)24(2)22-32(36)34-28-13-8-9-15-31(28)39-21-10-16-33(37)38/h5-9,11-13,15,17-20,22-23,29H,3-4,10,14,16,21H2,1-2H3,(H,34,36)(H,37,38)/b24-22+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284967 (1-[1-(2,6-Dichloro-phenyl)-1H-benzoimidazol-2-yl]-...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1c(Cl)cccc1Cl |(13.12,-3.34,;13.91,-4.67,;12.42,-5.07,;15.45,-4.67,;16.2,-3.32,;17.76,-3.31,;18.53,-4.64,;17.76,-5.98,;18.53,-7.31,;17.78,-8.64,;20.07,-7.3,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;9.36,-12.23,;8.05,-11.44,;9.36,-13.75,;10.69,-14.54,;12.02,-13.77,;12.02,-12.23,;13.37,-11.46,)| Show InChI InChI=1S/C26H26Cl2N4O/c1-15(2)17-9-7-10-18(16(3)4)23(17)30-26(33)31-25-29-21-13-5-6-14-22(21)32(25)24-19(27)11-8-12-20(24)28/h5-16H,1-4H3,(H2,29,30,31,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470302 (CHEMBL29925) Show SMILES C\C(=C/C(=O)Nc1ccc(C)cc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H34N2O4/c1-25-15-17-31(33(22-25)42-21-9-14-35(40)41)37-34(39)23-26(2)29-16-18-32-30(24-29)19-20-38(32)36(27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-20,22-24,36H,9,14,21H2,1-2H3,(H,37,39)(H,40,41)/b26-23+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470299 (CHEMBL95946) Show SMILES CC(C)C(C(C)C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-19(2)29(20(3)4)31-15-14-23-18-22(12-13-25(23)31)21(5)17-27(32)30-24-9-6-7-10-26(24)35-16-8-11-28(33)34/h6-7,9-10,12-15,17-20,29H,8,11,16H2,1-5H3,(H,30,32)(H,33,34)/b21-17+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470267 (CHEMBL316858) Show SMILES C\C(=C/C(=O)Nc1cccc(F)c1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H31FN2O4/c1-24(22-32(39)37-30-15-8-14-29(36)35(30)42-21-9-16-33(40)41)27-17-18-31-28(23-27)19-20-38(31)34(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-8,10-15,17-20,22-23,34H,9,16,21H2,1H3,(H,37,39)(H,40,41)/b24-22+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284976 (1-[1-(2-Chloro-phenyl)-1H-benzoimidazol-2-yl]-3-(2...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1Cl |(20.07,-7.3,;18.53,-7.31,;17.78,-8.64,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;8.05,-11.44,)| Show InChI InChI=1S/C26H27ClN4O/c1-16(2)18-10-9-11-19(17(3)4)24(18)29-26(32)30-25-28-21-13-6-8-15-23(21)31(25)22-14-7-5-12-20(22)27/h5-17H,1-4H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284971 (1-(2,6-Diisopropyl-phenyl)-3-(1-o-tolyl-1H-benzoim...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1C |(20.07,-7.3,;18.53,-7.31,;17.78,-8.64,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;8.05,-11.44,)| Show InChI InChI=1S/C27H30N4O/c1-17(2)20-12-10-13-21(18(3)4)25(20)29-27(32)30-26-28-22-14-7-9-16-24(22)31(26)23-15-8-6-11-19(23)5/h6-18H,1-5H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50470292 (CHEMBL100318) Show SMILES CCC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C31H32N2O4/c1-3-27(23-10-5-4-6-11-23)33-18-17-25-21-24(15-16-28(25)33)22(2)20-30(34)32-26-12-7-8-13-29(26)37-19-9-14-31(35)36/h4-8,10-13,15-18,20-21,27H,3,9,14,19H2,1-2H3,(H,32,34)(H,35,36)/b22-20+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair

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