Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'vennerstrom' and Initial = 'jl'   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50384440 (CHEMBL2035505 | CHEMBL2037389) Show SMILES Clc1ccc2c(NCCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1 |t:36,66| Show InChI InChI=1S/C52H48Cl2N12O4/c53-37-7-9-41-43(11-17-57-45(41)29-37)55-13-1-15-63-49(67)35-23-33(47-59-19-20-60-47)25-39(27-35)65-51(69)31-3-5-32(6-4-31)52(70)66-40-26-34(48-61-21-22-62-48)24-36(28-40)50(68)64-16-2-14-56-44-12-18-58-46-30-38(54)8-10-42(44)46/h3-12,17-18,23-30H,1-2,13-16,19-22H2,(H,55,57)(H,56,58)(H,59,60)(H,61,62)(H,63,67)(H,64,68)(H,65,69)(H,66,70)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	572	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition of SNAP-25 (187-203) substrate hydrolysis by RP-HPLC-based assay in pre...				ACS Med Chem Lett 1: 301-305 (2010) Article DOI: 10.1021/ml100056v BindingDB Entry DOI: 10.7270/Q2G73FRR
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50384439 (CHEMBL2035506) Show SMILES Clc1ccc2c(NCCCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1 |t:37,68| Show InChI InChI=1S/C54H52Cl2N12O4/c55-39-9-11-43-45(13-19-59-47(43)31-39)57-15-1-3-17-65-51(69)37-25-35(49-61-21-22-62-49)27-41(29-37)67-53(71)33-5-7-34(8-6-33)54(72)68-42-28-36(50-63-23-24-64-50)26-38(30-42)52(70)66-18-4-2-16-58-46-14-20-60-48-32-40(56)10-12-44(46)48/h5-14,19-20,25-32H,1-4,15-18,21-24H2,(H,57,59)(H,58,60)(H,61,62)(H,63,64)(H,65,69)(H,66,70)(H,67,71)(H,68,72)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition of SNAP-25 (187-203) substrate hydrolysis by RP-HPLC-based assay in pre...				ACS Med Chem Lett 1: 301-305 (2010) Article DOI: 10.1021/ml100056v BindingDB Entry DOI: 10.7270/Q2G73FRR
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50384441 (CHEMBL2035503) Show SMILES Clc1ccc2c(NCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1 |t:35,64| Show InChI InChI=1S/C50H44Cl2N12O4/c51-35-5-7-39-41(9-11-53-43(39)27-35)55-13-19-61-47(65)33-21-31(45-57-15-16-58-45)23-37(25-33)63-49(67)29-1-2-30(4-3-29)50(68)64-38-24-32(46-59-17-18-60-46)22-34(26-38)48(66)62-20-14-56-42-10-12-54-44-28-36(52)6-8-40(42)44/h1-12,21-28H,13-20H2,(H,53,55)(H,54,56)(H,57,58)(H,59,60)(H,61,65)(H,62,66)(H,63,67)(H,64,68)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition of SNAP-25 (187-203) substrate hydrolysis by RP-HPLC-based assay in pre...				ACS Med Chem Lett 1: 301-305 (2010) Article DOI: 10.1021/ml100056v BindingDB Entry DOI: 10.7270/Q2G73FRR
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50384438 (CHEMBL2035504) Show SMILES CCCCNC(=O)c1cc(NC(=O)c2ccc(cc2)C(=O)Nc2cc(cc(c2)C2=NCCN2)C(=O)NCCCC)cc(c1)C1=NCCN1 |t:30,47| Show InChI InChI=1S/C36H42N8O4/c1-3-5-11-41-33(45)27-17-25(31-37-13-14-38-31)19-29(21-27)43-35(47)23-7-9-24(10-8-23)36(48)44-30-20-26(32-39-15-16-40-32)18-28(22-30)34(46)42-12-6-4-2/h7-10,17-22H,3-6,11-16H2,1-2H3,(H,37,38)(H,39,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition of SNAP-25 (187-203) substrate hydrolysis by RP-HPLC-based assay in pre...				ACS Med Chem Lett 1: 301-305 (2010) Article DOI: 10.1021/ml100056v BindingDB Entry DOI: 10.7270/Q2G73FRR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50305505 (CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...) Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 563-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.088 BindingDB Entry DOI: 10.7270/Q2RJ4JKQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550378 (CHEMBL4799175) Show SMILES CCN1C(=O)N(C(=O)C1(C)C)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550361 (CHEMBL4793070) Show SMILES Fc1ccc(cc1C(F)(F)F)N1C(=O)CNC1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550377 (CHEMBL4758277) Show SMILES CC1(C)N(CC#N)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50135912 (5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitr...) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550354 (CHEMBL4787997) Show SMILES CC1(C)CC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550357 (CHEMBL4755665) Show SMILES Fc1ccc(cc1C(F)(F)F)N1C(=O)NC2(CCCC2)C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572153 (CHEMBL1529347) Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cccnc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550366 (CHEMBL4778298) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccnc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550379 (CHEMBL4778974) Show SMILES CN1C(=O)N(C(=O)C1(C)C)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550372 (CHEMBL4750103) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(Cl)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572152 (CHEMBL4864404) Show SMILES O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572154 (CHEMBL4858300) Show SMILES O=C(CNC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(cc2)C2=NCCN2)cc1)Nc1ccc(cc1)C1=NCCN1 |t:26,43| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572141 (CHEMBL4866821) Show SMILES Oc1ccc2ccccc2c1\C=N\NC(=O)c1ccccc1NC(=O)c1ccccc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50201426 (dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-c...) Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:14.15,16.18,12.14,19.21,wU:10.10,5.8,2.1,TLB:17:12:15.16.18:20,THB:11:10:15.16.18:20,9:10:15.16.18:20,10:12:15:18.19.20,10:19:15:13.17.12,TEB:17:16:20:13.12.10,18:19:13:15.16.17,(13.45,-13.89,;13.42,-12.35,;12.07,-11.6,;10.75,-12.4,;9.41,-11.66,;9.37,-10.12,;10.69,-9.32,;12.04,-10.06,;9.17,-8.58,;7.66,-8.3,;6.92,-9.66,;7.98,-10.78,;5.82,-10.73,;4.59,-9.98,;4.01,-8.7,;2.26,-8.74,;3.61,-9.51,;4.2,-10.91,;4.73,-8.39,;6.34,-8.26,;5.06,-7.64,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hERG by patch clamp assay				Bioorg Med Chem Lett 17: 1260-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.007 BindingDB Entry DOI: 10.7270/Q2N017B8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550353 (CHEMBL4790269) Show SMILES CC1(C)OC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572149 (CHEMBL4876787) Show SMILES O=C(CCCC(=O)N\N=C\c1cccc2ccccc12)N\N=C\c1ccc2ccccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572148 (CHEMBL4876358) Show SMILES C\C(\C=N\Nc1ccc(cc1)S(=O)(=O)\N=C\C(\C)=C\c1ccccc1)=C/c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572143 (CHEMBL4850980) Show SMILES COc1ccc(O)c(\C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572151 (CHEMBL4876041) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCOc1ccc(Cl)cc1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572146 (CHEMBL4851842) Show SMILES COc1ccccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550376 (CHEMBL4786505) Show SMILES CC1(C)N(CCc2ccccc2)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50060925 (CHEBI:79628 | GARDENIN B) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 Show InChI InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572142 (CHEMBL4862243) Show SMILES CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2cccc(C)c2C)cc1CC(=O)C(=O)Nc1cccc(C)c1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50201425 (2-({dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1...) Show SMILES NC(=O)CNC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:18.19,20.22,16.18,23.25,wU:14.14,9.12,6.5,TLB:21:16:19.20.22:24,THB:15:14:19.20.22:24,13:14:19.20.22:24,14:16:19:22.23.24,14:23:19:17.21.16,TEB:21:20:24:17.16.14,22:23:17:19.20.21,(25.77,-11.15,;27.09,-10.36,;28.44,-11.11,;27.07,-8.82,;25.73,-8.06,;25.71,-6.52,;24.36,-5.77,;23.04,-6.56,;21.7,-5.81,;21.68,-4.27,;23,-3.47,;24.34,-4.23,;21.49,-2.73,;19.98,-2.44,;19.23,-3.79,;20.28,-4.92,;18.12,-4.85,;16.9,-4.09,;16.32,-2.81,;14.58,-2.84,;15.92,-3.62,;16.5,-5.02,;17.05,-2.51,;18.66,-2.39,;17.38,-1.76,)| Show InChI InChI=1S/C19H30N2O4/c20-17(22)11-21-10-12-1-3-18(4-2-12)23-19(25-24-18)15-6-13-5-14(8-15)9-16(19)7-13/h12-16,21H,1-11H2,(H2,20,22)/t12-,13?,14?,15?,16?,18+,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hERG by patch clamp assay				Bioorg Med Chem Lett 17: 1260-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.007 BindingDB Entry DOI: 10.7270/Q2N017B8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572147 (CHEMBL1990669) Show SMILES Clc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2NC2=CC(=O)C(=O)c3ccccc23)cc1Cl |t:21| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550350 (CHEMBL4786811) Show SMILES CC1(C)N(C(=O)NC1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550347 (CHEMBL4572306) Show SMILES CC(C)(NC(=O)Nc1ccc(F)c(c1)C(F)(F)F)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23299 (4-amino-7-chloroquinoline (ACQ)-based compound, 4 ...) Show SMILES Clc1ccc2c(NCCCN(CCCNc3ccnc4cc(Cl)ccc34)CCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 Show InChI InChI=1S/C36H36Cl3N7/c37-25-4-7-28-31(10-16-43-34(28)22-25)40-13-1-19-46(20-2-14-41-32-11-17-44-35-23-26(38)5-8-29(32)35)21-3-15-42-33-12-18-45-36-24-27(39)6-9-30(33)36/h4-12,16-18,22-24H,1-3,13-15,19-21H2,(H,40,43)(H,41,44)(H,42,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50322668 (2'-(9H-fluoren-3-ylcarbamoyl)biphenyl-2-carboxylic...) Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2Cc3ccccc3-c2c1 Show InChI InChI=1S/C27H19NO3/c29-26(23-11-5-3-9-21(23)22-10-4-6-12-24(22)27(30)31)28-19-14-13-18-15-17-7-1-2-8-20(17)25(18)16-19/h1-14,16H,15H2,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550355 (CHEMBL4778185) Show SMILES Fc1ccc(cc1C(F)(F)F)N1C(=O)C2CCCN2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550370 (CHEMBL4799429) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(F)c(c1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550368 (CHEMBL4782426) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccncc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550362 (CHEMBL4743529) Show SMILES CC1(C)NC(=O)N(Cc2ccc(F)c(c2)C(F)(F)F)C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550356 (CHEMBL4747499) Show SMILES Fc1ccc(cc1C(F)(F)F)N1C(=O)NC2(CCCCC2)C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550374 (CHEMBL4748557) Show SMILES CC1(C)N(C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550380 (CHEMBL4465426) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550367 (CHEMBL4748422) Show SMILES CC1(C)NC(=O)N(C1=O)c1ccnc(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572150 (CHEMBL4847026) Show SMILES CCN(CC)c1ccc(CN(CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550358 (CHEMBL4793158) Show SMILES CC1(CO)NC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550359 (CHEMBL4763136) Show SMILES FC(F)c1cc(ccc1F)N1C(=O)N[C@@H](C1=O)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50412279 (CHEMBL476121) Show SMILES COc1c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c(OC)c1OC Show InChI InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50572144 (CHEMBL4860371) Show SMILES O=C(OCc1cccc2ccc3cccc(COC(=O)c4ccccc4)c3c12)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response elemen...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116368 BindingDB Entry DOI: 10.7270/Q2X3527W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550373 (CHEMBL4781708) Show SMILES CC1(C)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550375 (CHEMBL4740944) Show SMILES CC1(C)N(C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F)S(C)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50550348 (CHEMBL4777133) Show SMILES CC1(C)CNC(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M0492B
					More data for this Ligand-Target Pair

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