Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'dye' and Initial = 'k'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50514279 (CHEMBL4527655) Show SMILES CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1 Show InChI InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.257	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514280 (CHEMBL4586663) Show SMILES Oc1ccc2c(Oc3ccc(OC4CN(CCCF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-13-4-14-29-16-22(17-29)32-20-8-10-21(11-9-20)33-26-23-12-7-19(30)15-24(23)34-27(26)25(31)18-5-2-1-3-6-18/h1-3,5-12,15,22,30H,4,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50444892 (CHEMBL392916) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1 Show InChI InChI=1S/C34H42N2O2/c1-2-33(28-10-4-3-5-11-28)34(29-12-16-31(17-13-29)37-26-24-35-20-6-7-21-35)30-14-18-32(19-15-30)38-27-25-36-22-8-9-23-36/h3-5,10-19H,2,6-9,20-27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at ER-alpha in human MCF-7:WS8 cells transfected with an estrogen response element assessed as suppression of estrogen-induced re...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01001 BindingDB Entry DOI: 10.7270/Q2RN3CGZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514280 (CHEMBL4586663) Show SMILES Oc1ccc2c(Oc3ccc(OC4CN(CCCF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-13-4-14-29-16-22(17-29)32-20-8-10-21(11-9-20)33-26-23-12-7-19(30)15-24(23)34-27(26)25(31)18-5-2-1-3-6-18/h1-3,5-12,15,22,30H,4,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514287 (CHEMBL4532671) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-4-2-3-5-23(18)26(32)28-27(24-11-6-20(31)14-25(24)35-28)34-22-9-7-21(8-10-22)33-13-12-30-16-19(15-29)17-30/h2-11,14,19,31H,12-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.955	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514293 (CHEMBL4515212) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-15-18-16-29(17-18)12-13-32-21-7-9-22(10-8-21)33-26-23-11-6-20(30)14-24(23)34-27(26)25(31)19-4-2-1-3-5-19/h1-11,14,18,30H,12-13,15-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514292 (CHEMBL4533964) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-12-19(31)13-18(2)26(17)27(34)29-28(24-9-4-20(33)14-25(24)37-29)36-22-7-5-21(6-8-22)35-23-15-32(16-23)11-3-10-30/h4-9,12-14,23,33H,3,10-11,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514283 (CHEMBL4524872) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H23F2NO4S/c28-14-17-15-30(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(29)4-2-18/h1-10,13,17,31H,11-12,14-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514282 (CHEMBL4543096) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-11-20(31)12-18(2)26(17)27(34)29-28(24-8-3-21(33)13-25(24)37-29)36-23-6-4-22(5-7-23)35-10-9-32-15-19(14-30)16-32/h3-8,11-13,19,33H,9-10,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514284 (CHEMBL4483006) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CC(CF)C3)cc2)c(C)c1 Show InChI InChI=1S/C29H28FNO4S/c1-18-3-9-24(19(2)13-18)27(33)29-28(25-10-4-21(32)14-26(25)36-29)35-23-7-5-22(6-8-23)34-12-11-31-16-20(15-30)17-31/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514287 (CHEMBL4532671) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-4-2-3-5-23(18)26(32)28-27(24-11-6-20(31)14-25(24)35-28)34-22-9-7-21(8-10-22)33-13-12-30-16-19(15-29)17-30/h2-11,14,19,31H,12-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50238741 (CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H] Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539801 (CHEMBL4648912 | US11840533, Compound 70) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514281 (CHEMBL4516021) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCC2)cc1 Show InChI InChI=1S/C27H25NO4S/c1-18-5-2-3-6-22(18)25(30)27-26(23-12-7-19(29)17-24(23)33-27)32-21-10-8-20(9-11-21)31-16-15-28-13-4-14-28/h2-3,5-12,17,29H,4,13-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514279 (CHEMBL4527655) Show SMILES CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1 Show InChI InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514286 (CHEMBL4448178) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-5-2-3-6-23(18)26(32)28-27(24-12-7-19(31)15-25(24)35-28)34-21-10-8-20(9-11-21)33-22-16-30(17-22)14-4-13-29/h2-3,5-12,15,22,31H,4,13-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514286 (CHEMBL4448178) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-5-2-3-6-23(18)26(32)28-27(24-12-7-19(31)15-25(24)35-28)34-21-10-8-20(9-11-21)33-22-16-30(17-22)14-4-13-29/h2-3,5-12,15,22,31H,4,13-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514290 (CHEMBL4578883) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-12-19(30)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-31-15-18(14-29)16-31/h2-9,12-13,18,32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514285 (CHEMBL4436707) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@H](CF)C2)cc1 |r| Show InChI InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514292 (CHEMBL4533964) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-12-19(31)13-18(2)26(17)27(34)29-28(24-9-4-20(33)14-25(24)37-29)36-22-7-5-21(6-8-22)35-23-15-32(16-23)11-3-10-30/h4-9,12-14,23,33H,3,10-11,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514282 (CHEMBL4543096) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-11-20(31)12-18(2)26(17)27(34)29-28(24-8-3-21(33)13-25(24)37-29)36-23-6-4-22(5-7-23)35-10-9-32-15-19(14-30)16-32/h3-8,11-13,19,33H,9-10,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514290 (CHEMBL4578883) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-12-19(30)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-31-15-18(14-29)16-31/h2-9,12-13,18,32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514293 (CHEMBL4515212) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-15-18-16-29(17-18)12-13-32-21-7-9-22(10-8-21)33-26-23-11-6-20(30)14-24(23)34-27(26)25(31)19-4-2-1-3-5-19/h1-11,14,18,30H,12-13,15-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514294 (CHEMBL4564385) Show SMILES Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO5S/c1-17-12-19(31)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-30-15-18(14-29)16-30/h2-9,12-13,18,31-32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514289 (CHEMBL4538085) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-13-18(30)3-9-23(17)26(33)28-27(24-10-4-19(32)14-25(24)36-28)35-21-7-5-20(6-8-21)34-22-15-31(16-22)12-2-11-29/h3-10,13-14,22,32H,2,11-12,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539801 (CHEMBL4648912 | US11840533, Compound 70) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514295 (CHEMBL4440649) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r| Show InChI InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at ER-alpha in human MCF-7:WS8 cells transfected with an estrogen response element assessed as suppression of estrogen-induced re...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01001 BindingDB Entry DOI: 10.7270/Q2RN3CGZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50514278 (CHEMBL4436415) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(C2)C2CC2)cc1 Show InChI InChI=1S/C29H26FNO4S/c1-16-11-18(30)12-17(2)26(16)27(33)29-28(24-10-5-20(32)13-25(24)36-29)35-22-8-6-21(7-9-22)34-23-14-31(15-23)19-3-4-19/h5-13,19,23,32H,3-4,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514284 (CHEMBL4483006) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CC(CF)C3)cc2)c(C)c1 Show InChI InChI=1S/C29H28FNO4S/c1-18-3-9-24(19(2)13-18)27(33)29-28(25-10-4-21(32)14-26(25)36-29)35-23-7-5-22(6-8-23)34-12-11-31-16-20(15-30)17-31/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514288 (CHEMBL4464171) Show SMILES Oc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C27H24FNO5S/c28-14-17-15-29(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(30)4-2-18/h1-10,13,17,30-31H,11-12,14-16H2	PDB UniProtKB/SwissProt antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539804 (CHEMBL4640025 | US11840533, Compound 71) Show SMILES CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H26N6O2/c1-19(37)34-24-16-20(23-18-35(3)28-21(23)10-14-33-29(28)38)17-25-22(24)11-15-36(25)30(2,26-8-4-6-12-31-26)27-9-5-7-13-32-27/h4-18H,1-3H3,(H,33,38)(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514289 (CHEMBL4538085) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-13-18(30)3-9-23(17)26(33)28-27(24-10-4-19(32)14-25(24)36-28)35-21-7-5-20(6-8-21)34-22-15-31(16-22)12-2-11-29/h3-10,13-14,22,32H,2,11-12,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539802 (CHEMBL4647718) Show SMILES CCC(c1ccccn1)(c1ccccn1)n1ccc2c(NS(=O)(=O)CC)cc(cc12)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H30N6O3S/c1-4-31(27-10-6-8-14-32-27,28-11-7-9-15-33-28)37-17-13-23-25(35-41(39,40)5-2)18-21(19-26(23)37)24-20-36(3)29-22(24)12-16-34-30(29)38/h6-20,35H,4-5H2,1-3H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514291 (CHEMBL4447374) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r| Show InChI InChI=1S/C29H28FNO4S/c1-19-4-2-3-5-24(19)27(33)29-28(25-11-6-21(32)16-26(25)36-29)35-23-9-7-22(8-10-23)34-15-14-31-13-12-20(17-30)18-31/h2-11,16,20,32H,12-15,17-18H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514278 (CHEMBL4436415) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(C2)C2CC2)cc1 Show InChI InChI=1S/C29H26FNO4S/c1-16-11-18(30)12-17(2)26(16)27(33)29-28(24-10-5-20(32)13-25(24)36-29)35-22-8-6-21(7-9-22)34-23-14-31(15-23)19-3-4-19/h5-13,19,23,32H,3-4,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514295 (CHEMBL4440649) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r| Show InChI InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539800 (CHEMBL4632358) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539800 (CHEMBL4632358) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539803 (CHEMBL4633289) Show SMILES CC(C)C(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C32H30N6O2/c1-20(2)30(39)36-25-17-21(24-19-37(4)29-22(24)11-15-35-31(29)40)18-26-23(25)12-16-38(26)32(3,27-9-5-7-13-33-27)28-10-6-8-14-34-28/h5-20H,1-4H3,(H,35,40)(H,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514294 (CHEMBL4564385) Show SMILES Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO5S/c1-17-12-19(31)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-30-15-18(14-29)16-30/h2-9,12-13,18,31-32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50031720 ((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...) Show SMILES CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human ERG stably expressed in HEK293 cells				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539804 (CHEMBL4640025 | US11840533, Compound 71) Show SMILES CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H26N6O2/c1-19(37)34-24-16-20(23-18-35(3)28-21(23)10-14-33-29(28)38)17-25-22(24)11-15-36(25)30(2,26-8-4-6-12-31-26)27-9-5-7-13-32-27/h4-18H,1-3H3,(H,33,38)(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514283 (CHEMBL4524872) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H23F2NO4S/c28-14-17-15-30(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(29)4-2-18/h1-10,13,17,31H,11-12,14-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539805 (CHEMBL4644032 | US11840533, Compound 72) Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539786 (CHEMBL4640133) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ccc12)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C25H23FN4O3S/c1-3-34(32,33)28-22-12-17(21-15-29(2)24-19(21)8-10-27-25(24)31)13-23-20(22)9-11-30(23)14-16-4-6-18(26)7-5-16/h4-13,15,28H,3,14H2,1-2H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539792 (CHEMBL4646027) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C24H22FN5O3S/c1-3-34(32,33)28-21-10-16(20-14-29(2)23-18(20)8-9-26-24(23)31)11-22-19(21)12-27-30(22)13-15-4-6-17(25)7-5-15/h4-12,14,28H,3,13H2,1-2H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537622 (CHEMBL4634168) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(F)F)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C27H25F2N3O8S2/c1-39-18-7-11-20(12-8-18)41(35,36)31(16-25(28)29)24-15-30-27(23-6-4-3-5-22(23)24)32(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15,25H,16-17H2,1-2H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 63: 6547-6560 (2020) Article DOI: 10.1021/acs.jmedchem.9b01074 BindingDB Entry DOI: 10.7270/Q2QV3QDZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561983 (BDBM50369389 | US11396496, Compound A1) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
					More data for this Ligand-Target Pair

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