Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'ladd' and Initial = 'dl'   

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
D(1A) dopamine receptor (RAT)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (RAT)	BDBM50025202 (9-Aminomethyl-9H-fluorene-2,5,6-triol | CHEMBL5767...) Show SMILES NCC1c2cc(O)ccc2-c2c1ccc(O)c2O Show InChI InChI=1S/C14H13NO3/c15-6-11-9-3-4-12(17)14(18)13(9)8-2-1-7(16)5-10(8)11/h1-5,11,16-18H,6,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (RAT)	BDBM50025206 ((6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES C[NH+](C)C1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50403606 (CHEMBL1627951) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C24H33NO3/c1-23(2,3)25-21(26)20-10-9-19-18-8-5-14-13-15(22(27)28)6-7-16(14)17(18)11-12-24(19,20)4/h6-7,13,17-20H,5,8-12H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-,19+,20-,24+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (BOVINE)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50022533 (CHEMBL368288) Show SMILES CC(C)(C)NC(=O)C1=CCC2C3CCc4cc(ccc4C3CC[C@]12C)C(O)=O |t:7| Show InChI InChI=1S/C15H17N3O/c1-12(2)16-17-15(19)11-13-5-7-14(8-6-13)18-9-3-4-10-18/h3-10H,11H2,1-2H3,(H,17,19)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50017807 (CHEMBL1628008) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(Cl)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C60H90N19O12P/c1-5-37(4)50(56(86)73-44(51(61)81)29-40-31-66-34-70-40)77-48(80)22-26-92(89,90)49(27-36(2)3)78-54(84)46(30-41-32-67-35-71-41)74-53(83)45(28-38-15-8-6-9-16-38)75-55(85)47-21-14-25-79(47)57(87)43(20-13-24-69-59(64)65)72-52(82)42(19-12-23-68-58(62)63)76-60(88)91-33-39-17-10-7-11-18-39/h6-11,15-18,31-32,34-37,42-47,49-50H,5,12-14,19-30,33H2,1-4H3,(H2,61,81)(H,66,70)(H,67,71)(H,72,82)(H,73,86)(H,74,83)(H,75,85)(H,76,88)(H,77,80)(H,78,84)(H,89,90)(H4,62,63,68)(H4,64,65,69)/t37-,42?,43?,44-,45-,46-,47+,49?,50-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50025206 ((6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...) Show SMILES C[NH+](C)C1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C12H17NO2/c1-13(2)10-4-3-8-6-11(14)12(15)7-9(8)5-10/h6-7,10,14-15H,3-5H2,1-2H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50022535 (CHEMBL1628036) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(Br)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C14H17N3O/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)9-14(18)16-15/h3-8H,9,15H2,1-2H3,(H,16,18)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50021747 (CHEMBL1628035) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(C)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C18H21N2O10P/c1-7-8(2)16(23)14(9(3)15(7)22)10-5-20(18(25)19-17(10)24)13-4-11(21)12(30-13)6-29-31(26,27)28/h5,11-13,21-23H,2-4,6H2,1H3,(H,19,24,25)(H2,26,27,28)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50017798 (CHEMBL353414) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2c3ccc4cc(ccc4c3CC[C@]12C)C(O)=O Show InChI InChI=1S/C63H96N19O12P/c1-7-39(6)52(59(89)76-47(53(64)83)29-42-31-69-35-73-42)81-54(84)44(38(4)5)34-95(92,93)51(27-37(2)3)80-57(87)49(30-43-32-70-36-74-43)77-56(86)48(28-40-17-10-8-11-18-40)78-58(88)50-23-16-26-82(50)60(90)46(22-15-25-72-62(67)68)75-55(85)45(21-14-24-71-61(65)66)79-63(91)94-33-41-19-12-9-13-20-41/h8-13,17-20,31-32,35-39,44-52H,7,14-16,21-30,33-34H2,1-6H3,(H2,64,83)(H,69,73)(H,70,74)(H,75,85)(H,76,89)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,81,84)(H,92,93)(H4,65,66,71)(H4,67,68,72)/t39-,44?,45?,46?,47-,48-,49-,50+,51?,52-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50366682 (CHEMBL1627395) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C26H37NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h7-8,14-16,20-23H,6,9-13H2,1-5H3,(H,29,30)/t20-,21-,22+,23-,26+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	356	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025201 (9-Aminomethyl-9H-fluorene-3,4-diol | CHEMBL55693) Show SMILES NCC1c2ccccc2-c2c1ccc(O)c2O Show InChI InChI=1S/C14H13NO2/c15-7-11-8-3-1-2-4-9(8)13-10(11)5-6-12(16)14(13)17/h1-6,11,16-17H,7,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50016781 (CHEMBL176429) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3C=Cc4cc(ccc4C3CC[C@]12C)C(O)=O |c:14| Show InChI InChI=1S/C20H32O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h3-5,7,16-19H,2,6,8-15H2,1H3,(H,21,22)/b4-3+,7-5-	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50016782 (CHEMBL1627708) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(F)c3CC[C@@]21[H] Show InChI InChI=1S/C20H34O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5-	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025208 (6-Chloro-9-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1c(O)c(c2CCNCCc2c1Cl)-c1ccccc1 Show InChI InChI=1S/C16H16ClNO2/c17-14-12-7-9-18-8-6-11(12)13(15(19)16(14)20)10-4-2-1-3-5-10/h1-5,18-20H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50017219 (CHEMBL1627982) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(Cl)c3CC[C@@]21[H] Show InChI InChI=1S/C41H49Cl2N9O7/c1-40(2,3)59-39(56)50-34(15-25-18-46-32-8-5-4-7-29(25)32)38(55)52-13-6-9-35(52)37(54)49-33(17-27-19-45-23-48-27)36(53)47-20-28-21-57-41(58-28,22-51-14-12-44-24-51)30-11-10-26(42)16-31(30)43/h4-5,7-8,10-12,14,16,18,24,28,33-35,45-46H,6,9,13,15,17,19-23H2,1-3H3,(H,47,53)(H,49,54)(H,50,56)/t28-,33?,34?,35?,41-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50022534 (CHEMBL1628011) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(C#N)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C12H13N3O/c13-14-12(16)9-10-3-5-11(6-4-10)15-7-1-2-8-15/h1-8H,9,13H2,(H,14,16)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50004821 (2,3,4,5-Tetrahydro-1H-benzo[d]azepine-7,8-diol | C...) Show SMILES Oc1cc2CCNCCc2cc1O Show InChI InChI=1S/C10H13NO2/c12-9-5-7-1-3-11-4-2-8(7)6-10(9)13/h5-6,11-13H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for binding affinity against dDopamine receptor D1 using [3H]fenoldopam as a radioligand				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025204 (6-(2-Amino-ethyl)-biphenyl-2,3-diol | CHEMBL299511) Show SMILES NCCc1ccc(O)c(O)c1-c1ccccc1 Show InChI InChI=1S/C14H15NO2/c15-9-8-11-6-7-12(16)14(17)13(11)10-4-2-1-3-5-10/h1-7,16-17H,8-9,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025209 (6-Chloro-9-(4-hydroxy-phenyl)-2,3,4,5-tetrahydro-1...) Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(Cl)c2CCNCCc12 Show InChI InChI=1S/C16H16ClNO3/c17-14-12-6-8-18-7-5-11(12)13(15(20)16(14)21)9-1-3-10(19)4-2-9/h1-4,18-21H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025207 (6-(2-Amino-ethyl)-biphenyl-2,3,4'-triol | CHEMBL57...) Show SMILES NCCc1ccc(O)c(O)c1-c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO3/c15-8-7-10-3-6-12(17)14(18)13(10)9-1-4-11(16)5-2-9/h1-6,16-18H,7-8,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025203 (6-(2-Dipropylamino-ethyl)-biphenyl-2,3,4'-triol | ...) Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1 Show InChI InChI=1S/C20H27NO3/c1-3-12-21(13-4-2)14-11-16-7-10-18(23)20(24)19(16)15-5-8-17(22)9-6-15/h5-10,22-24H,3-4,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025210 (6-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8...) Show SMILES Oc1cc2CCNCCc2c(c1O)-c1ccccc1 Show InChI InChI=1S/C16H17NO2/c18-14-10-12-6-8-17-9-7-13(12)15(16(14)19)11-4-2-1-3-5-11/h1-5,10,17-19H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50025203 (6-(2-Dipropylamino-ethyl)-biphenyl-2,3,4'-triol | ...) Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1 Show InChI InChI=1S/C20H27NO3/c1-3-12-21(13-4-2)14-11-16-7-10-18(23)20(24)19(16)15-5-8-17(22)9-6-15/h5-10,22-24H,3-4,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50017222 (CHEMBL1627706) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(Br)c3CC[C@@]21[H] Show InChI InChI=1S/C40H43Cl2N7O6/c41-29-13-14-33(34(42)18-29)40(24-48-17-15-43-26-48)54-22-31(55-40)21-45-37(50)35(19-30-20-44-25-46-30)47-38(51)36-12-7-16-49(36)39(52)53-23-32(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-6,8-11,13-15,17-18,26,31-32,35-36,44H,7,12,16,19-25H2,(H,45,50)(H,47,51)/t31-,35?,36?,40-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025205 (6-(2-Dipropylamino-ethyl)-biphenyl-2,3-diol | CHEM...) Show SMILES CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-3-13-21(14-4-2)15-12-17-10-11-18(22)20(23)19(17)16-8-6-5-7-9-16/h5-11,22-23H,3-4,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50025211 (6-(4-Hydroxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d...) Show SMILES Oc1ccc(cc1)-c1c(O)c(O)cc2CCNCCc12 Show InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)15-13-6-8-17-7-5-11(13)9-14(19)16(15)20/h1-4,9,17-20H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50406344 (CHEMBL1628191) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(O)=O)c(cc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C27H37NO5/c1-14(2)28(15(3)4)24(29)23-9-8-22-18-7-6-16-12-20(25(30)31)21(26(32)33)13-19(16)17(18)10-11-27(22,23)5/h12-15,17-18,22-23H,6-11H2,1-5H3,(H,30,31)(H,32,33)/t17-,18+,22-,23+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description In vitro inhibition against Steroid 5-alpha-reductase of benign hyperplastic human prostatic tissue expressed as apparent inhibition constant				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50025202 (9-Aminomethyl-9H-fluorene-2,5,6-triol | CHEMBL5767...) Show SMILES NCC1c2cc(O)ccc2-c2c1ccc(O)c2O Show InChI InChI=1S/C14H13NO3/c15-6-11-9-3-4-12(17)14(18)13(9)8-2-1-7(16)5-10(8)11/h1-5,11,16-18H,6,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50020394 (CHEMBL1627710) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(C)c3CC[C@@]21[H] Show InChI InChI=1S/C16H23N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-14H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t10?,11?,12?,13-,14-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50406344 (CHEMBL1628191) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(O)=O)c(cc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C27H37NO5/c1-14(2)28(15(3)4)24(29)23-9-8-22-18-7-6-16-12-20(25(30)31)21(26(32)33)13-19(16)17(18)10-11-27(22,23)5/h12-15,17-18,22-23H,6-11H2,1-5H3,(H,30,31)(H,32,33)/t17-,18+,22-,23+,27-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description In vitro inhibition against Steroid 5-alpha-reductase of whole rat ventral prostate tissue expressed as apparent inhibition constant				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50017763 (CHEMBL1628002) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(C#N)c3CC[C@@]21[H] Show InChI InChI=1S/C30H37N8O14P/c31-29-34-18-6-5-17(10-32-16-3-1-14(2-4-16)25(42)33-19(28(45)46)7-8-23(40)41)37(24(18)27(44)35-29)11-15-12-38(30(47)36-26(15)43)22-9-20(39)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,32,39H,5-11,13H2,(H,33,42)(H,40,41)(H,45,46)(H,36,43,47)(H2,48,49,50)(H3,31,34,35,44)/p-4/t17?,19?,20-,21-,22?/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020475 (CHEMBL341192 | [7-Methyl-5-(thiophene-2-carbonyl)-...) Show SMILES COC(=O)Nc1nc2c(C)cc(cc2[nH]1)C(=O)c1cccs1 Show InChI InChI=1S/C15H13N3O3S/c1-8-6-9(13(19)11-4-3-5-22-11)7-10-12(8)17-14(16-10)18-15(20)21-2/h3-7H,1-2H3,(H2,16,17,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020464 (CHEMBL135161 | [5-(2-Methoxycarbonylamino-1H-benzo...) Show SMILES CCOC(=O)Cc1csc(c1)C(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1 Show InChI InChI=1S/C18H17N3O5S/c1-3-26-15(22)7-10-6-14(27-9-10)16(23)11-4-5-12-13(8-11)20-17(19-12)21-18(24)25-2/h4-6,8-9H,3,7H2,1-2H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020463 (Benzoic acid 5-(2-methoxycarbonylamino-1H-benzoimi...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(COC(=O)c2ccccc2)cs1 Show InChI InChI=1S/C22H17N3O5S/c1-29-22(28)25-21-23-16-8-7-15(10-17(16)24-21)19(26)18-9-13(12-31-18)11-30-20(27)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,23,24,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020478 (CHEMBL133799 | [5-(4-Cyanomethyl-thiophene-2-carbo...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC#N)cs1 Show InChI InChI=1S/C16H12N4O3S/c1-23-16(22)20-15-18-11-3-2-10(7-12(11)19-15)14(21)13-6-9(4-5-17)8-24-13/h2-3,6-8H,4H2,1H3,(H2,18,19,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020459 (CHEMBL336862 | [5-(2-Methoxycarbonylamino-1H-benzo...) Show SMILES COC(=O)Cc1csc(c1)C(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1 Show InChI InChI=1S/C17H15N3O5S/c1-24-14(21)6-9-5-13(26-8-9)15(22)10-3-4-11-12(7-10)19-16(18-11)20-17(23)25-2/h3-5,7-8H,6H2,1-2H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020480 (CHEMBL422615 | [5-(2-Methoxycarbonylamino-1H-benzo...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC(=O)OCc2ccccc2)cs1 Show InChI InChI=1S/C23H19N3O5S/c1-30-23(29)26-22-24-17-8-7-16(11-18(17)25-22)21(28)19-9-15(13-32-19)10-20(27)31-12-14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3,(H2,24,25,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM97233 (CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020479 (CHEMBL133900 | [5-(2-Methoxycarbonylamino-1H-benzo...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC(=O)OC(C)(C)C)cs1 Show InChI InChI=1S/C20H21N3O5S/c1-20(2,3)28-16(24)8-11-7-15(29-10-11)17(25)12-5-6-13-14(9-12)22-18(21-13)23-19(26)27-4/h5-7,9-10H,8H2,1-4H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020460 (2,2,2-Trifluoro-1-[5-(2-methoxycarbonylamino-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(cs1)C([N+]#N)C(F)(F)F Show InChI InChI=1S/C16H10F3N5O3S/c1-27-15(26)23-14-21-9-3-2-7(4-10(9)22-14)12(25)11-5-8(6-28-11)13(24-20)16(17,18)19/h2-6,13,20H,1H3/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020461 (CHEMBL422269 | [5-(Thiophene-2-carbonyl)-1H-benzoi...) Show SMILES CC(C)OC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI InChI=1S/C16H15N3O3S/c1-9(2)22-16(21)19-15-17-11-6-5-10(8-12(11)18-15)14(20)13-4-3-7-23-13/h3-9H,1-2H3,(H2,17,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020469 (CHEMBL134616 | {5-[4-(2,2,2-Trifluoro-acetyl)-thio...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(cs1)C(=O)C(F)(F)F Show InChI InChI=1S/C16H10F3N3O4S/c1-26-15(25)22-14-20-9-3-2-7(4-10(9)21-14)12(23)11-5-8(6-27-11)13(24)16(17,18)19/h2-6H,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020474 (CHEMBL133155 | [5-(4-Methyl-thiophene-2-carbonyl)-...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(C)cs1 Show InChI InChI=1S/C15H13N3O3S/c1-8-5-12(22-7-8)13(19)9-3-4-10-11(6-9)17-14(16-10)18-15(20)21-2/h3-7H,1-2H3,(H2,16,17,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50020455 (CHEMBL130090 | [5-(4-Hydroxymethyl-thiophene-2-car...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CO)cs1 Show InChI InChI=1S/C15H13N3O4S/c1-22-15(21)18-14-16-10-3-2-9(5-11(10)17-14)13(20)12-4-8(6-19)7-23-12/h2-5,7,19H,6H2,1H3,(H2,16,17,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
					More data for this Ligand-Target Pair

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