Compile Data Set for Download or QSAR

Found 540 hits with Last Name = 'chinnaswamy' 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
Menin (Homo sapiens (Human))	BDBM50516569 (CHEMBL4585198 | US10899738, Cpd. No 148) Show SMILES CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 Show InChI InChI=1S/C36H46N4O2S/c1-2-38-26-29-7-3-6-10-35(29)36(27-38,30-8-4-5-9-30)31-17-21-39(22-18-31)23-28-24-40(25-28)32-11-13-33(14-12-32)43(41,42)34-15-19-37-20-16-34/h3,6-7,10-16,19-20,28,30-31H,2,4-5,8-9,17-18,21-27H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516582 (CHEMBL4449381) Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@]1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r| Show InChI InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Menin (Homo sapiens (Human))	BDBM50516571 (CHEMBL4592636 | US10899738, Cpd. No 50) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3CC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-15-19-39-20-16-36)35-13-11-34(12-14-35)42-25-30(26-42)24-40-21-17-33(18-22-40)38(32-6-2-3-7-32)28-41(23-29-9-10-29)27-31-5-1-4-8-37(31)38/h1,4-5,8,11-16,19-20,29-30,32-33H,2-3,6-7,9-10,17-18,21-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516570 (CHEMBL4551865 | US10899738, Cpd. No 48) Show SMILES CC(C)N1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 Show InChI InChI=1S/C37H48N4O2S/c1-28(2)41-26-30-7-3-6-10-36(30)37(27-41,31-8-4-5-9-31)32-17-21-39(22-18-32)23-29-24-40(25-29)33-11-13-34(14-12-33)44(42,43)35-15-19-38-20-16-35/h3,6-7,10-16,19-20,28-29,31-32H,4-5,8-9,17-18,21-27H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516567 (CHEMBL4449199 | US10899738, Cpd. No 51) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CNCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C34H42N4O2S/c39-41(40,32-13-17-35-18-14-32)31-11-9-30(10-12-31)38-23-26(24-38)22-37-19-15-29(16-20-37)34(28-6-2-3-7-28)25-36-21-27-5-1-4-8-33(27)34/h1,4-5,8-14,17-18,26,28-29,36H,2-3,6-7,15-16,19-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516554 (CHEMBL4522767 | US10899738, Cpd. No 49) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-16-20-39-21-17-36)35-14-12-34(13-15-35)41-25-29(26-41)24-40-22-18-32(19-23-40)38(31-7-2-3-8-31)28-42(33-9-5-10-33)27-30-6-1-4-11-37(30)38/h1,4,6,11-17,20-21,29,31-33H,2-3,5,7-10,18-19,22-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516568 (CHEMBL4516680) Show SMILES CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 Show InChI InChI=1S/C35H44N4O2S/c1-37-25-28-6-2-5-9-34(28)35(26-37,29-7-3-4-8-29)30-16-20-38(21-17-30)22-27-23-39(24-27)31-10-12-32(13-11-31)42(40,41)33-14-18-36-19-15-33/h2,5-6,9-15,18-19,27,29-30H,3-4,7-8,16-17,20-26H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516565 (CHEMBL4578509 | US10899738, Cpd. No 92) Show SMILES O=S(=O)(C1CCCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C35H49N3O2S/c39-41(40,32-11-2-1-3-12-32)33-16-14-31(15-17-33)38-25-27(26-38)24-37-22-19-30(20-23-37)35(29-9-5-6-10-29)34-13-7-4-8-28(34)18-21-36-35/h4,7-8,13-17,27,29-30,32,36H,1-3,5-6,9-12,18-26H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516581 (CHEMBL4458829) Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N5O2/c1-34-30(37)38-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516574 (CHEMBL4444304 | US10899738, Cpd. No 54) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CCN3CCOCC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C40H53N5O3S/c46-49(47,38-13-17-41-18-14-38)37-11-9-36(10-12-37)45-28-32(29-45)27-43-19-15-35(16-20-43)40(34-6-2-3-7-34)31-44(22-21-42-23-25-48-26-24-42)30-33-5-1-4-8-39(33)40/h1,4-5,8-14,17-18,32,34-35H,2-3,6-7,15-16,19-31H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092310 (CHEMBL3581661 | US9675697, Cpd. No. 23) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092341 (CHEMBL3581660 | US9675697, Cpd. No. 22) Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516553 (CHEMBL4476073 | US10899738, Cpd. No 151) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C34H42N4O2S/c39-41(40,32-14-18-35-19-15-32)31-11-9-30(10-12-31)38-24-26(25-38)23-37-21-16-29(17-22-37)34(28-6-2-3-7-28)33-8-4-1-5-27(33)13-20-36-34/h1,4-5,8-12,14-15,18-19,26,28-29,36H,2-3,6-7,13,16-17,20-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516564 (CHEMBL4459554 | US10899738, Cpd. No 146) Show SMILES O=S(=O)(C1CCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C34H47N3O2S/c38-40(39,31-10-4-5-11-31)32-15-13-30(14-16-32)37-24-26(25-37)23-36-21-18-29(19-22-36)34(28-8-2-3-9-28)33-12-6-1-7-27(33)17-20-35-34/h1,6-7,12-16,26,28-29,31,35H,2-5,8-11,17-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50557878 (CHEMBL4776801) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(=O)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant STAT3 (unknown origin) assessed as inhibition constant incubated for 1 hr by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00155 BindingDB Entry DOI: 10.7270/Q20R9T2F
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516566 (CHEMBL4436641 | US10899738, Cpd. No 149) Show SMILES O=S(=O)(c1ccccc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C35H43N3O2S/c39-41(40,32-11-2-1-3-12-32)33-16-14-31(15-17-33)38-25-27(26-38)24-37-22-19-30(20-23-37)35(29-9-5-6-10-29)34-13-7-4-8-28(34)18-21-36-35/h1-4,7-8,11-17,27,29-30,36H,5-6,9-10,18-26H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50514305 (CHEMBL4560429) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H39F2N6O8P/c34-33(35,50(47,48)49)21-10-12-23-20(16-21)17-26(38-23)30(44)40-25-9-5-4-8-22-11-14-27(41(22)32(25)46)31(45)39-24(13-15-28(36)42)29(43)37-18-19-6-2-1-3-7-19/h1-3,6-7,10,12,16-17,22,24-25,27,38H,4-5,8-9,11,13-15,18H2,(H2,36,42)(H,37,43)(H,39,45)(H,40,44)(H2,47,48,49)/t22-,24-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...				J Med Chem 62: 11280-11300 (2019) Article DOI: 10.1021/acs.jmedchem.9b01530 BindingDB Entry DOI: 10.7270/Q2FF3WQF
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516549 (CHEMBL4470192 | US10899738, Cpd. No 135) Show SMILES O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H43N3O2S/c36-38(37,30-13-14-30)29-11-9-28(10-12-29)35-22-24(23-35)21-34-19-16-27(17-20-34)32(26-6-2-3-7-26)31-8-4-1-5-25(31)15-18-33-32/h1,4-5,8-12,24,26-27,30,33H,2-3,6-7,13-23H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516572 (CHEMBL4532417 | US10899738, Cpd. No 52) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3COC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O3S/c43-46(44,36-13-17-39-18-14-36)35-11-9-34(10-12-35)42-23-29(24-42)21-40-19-15-33(16-20-40)38(32-6-2-3-7-32)28-41(22-30-26-45-27-30)25-31-5-1-4-8-37(31)38/h1,4-5,8-14,17-18,29-30,32-33H,2-3,6-7,15-16,19-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092310 (CHEMBL3581661 | US9675697, Cpd. No. 23) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516583 (CHEMBL4568235) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N5O2/c1-38-30(37)34-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092311 (CHEMBL3581662) Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1 |(1.05,4.4,;.13,3.57,;-1.35,4.05,;-1.84,5.52,;-3.39,5.51,;-3.86,4.03,;-2.59,3.15,;-2.58,1.59,;-3.83,.85,;-3.83,-.63,;-2.58,-1.37,;-1.27,-.63,;,-1.37,;1.27,-.63,;2.56,-1.37,;3.87,-.63,;5.21,-1.41,;5.36,-2.94,;4.43,-3.77,;6.87,-3.26,;7.65,-1.92,;6.61,-.77,;6.86,.45,;3.87,.85,;5.21,1.63,;5.21,2.88,;2.56,1.59,;1.27,.85,;-1.27,.85,;-5.33,3.53,;-5.75,2.04,;-7.25,1.66,;-8.34,2.77,;-7.92,4.26,;-6.41,4.65,)| Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516579 (CHEMBL4452253) Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)CC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H38N4O2/c1-2-31(37)38-30-10-6-9-29(30)32(23-34,26-7-4-3-5-8-26)27-15-17-35(18-16-27)20-25-21-36(22-25)28-13-11-24(19-33)12-14-28/h3-5,7-8,11-14,25,27,29-30H,2,6,9-10,15-18,20-22H2,1H3/t29-,30-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092311 (CHEMBL3581662) Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1 |(1.05,4.4,;.13,3.57,;-1.35,4.05,;-1.84,5.52,;-3.39,5.51,;-3.86,4.03,;-2.59,3.15,;-2.58,1.59,;-3.83,.85,;-3.83,-.63,;-2.58,-1.37,;-1.27,-.63,;,-1.37,;1.27,-.63,;2.56,-1.37,;3.87,-.63,;5.21,-1.41,;5.36,-2.94,;4.43,-3.77,;6.87,-3.26,;7.65,-1.92,;6.61,-.77,;6.86,.45,;3.87,.85,;5.21,1.63,;5.21,2.88,;2.56,1.59,;1.27,.85,;-1.27,.85,;-5.33,3.53,;-5.75,2.04,;-7.25,1.66,;-8.34,2.77,;-7.92,4.26,;-6.41,4.65,)| Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516561 (CHEMBL4460234 | US10899738, Cpd. No 133) Show SMILES CCS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C31H43N3O2S/c1-2-37(35,36)29-13-11-28(12-14-29)34-22-24(23-34)21-33-19-16-27(17-20-33)31(26-8-4-5-9-26)30-10-6-3-7-25(30)15-18-32-31/h3,6-7,10-14,24,26-27,32H,2,4-5,8-9,15-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50092310 (CHEMBL3581661 | US9675697, Cpd. No. 23) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516563 (CHEMBL4581439 | US10899738, Cpd. No 85) Show SMILES O=S(=O)(C1CCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C33H45N3O2S/c37-39(38,30-9-5-10-30)31-14-12-29(13-15-31)36-23-25(24-36)22-35-20-17-28(18-21-35)33(27-7-2-3-8-27)32-11-4-1-6-26(32)16-19-34-33/h1,4,6,11-15,25,27-28,30,34H,2-3,5,7-10,16-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516559 (CHEMBL4446177 | US10899738, Cpd. No 129) Show SMILES N#Cc1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C30H38N4/c31-19-23-9-11-28(12-10-23)34-21-24(22-34)20-33-17-14-27(15-18-33)30(26-6-2-3-7-26)29-8-4-1-5-25(29)13-16-32-30/h1,4-5,8-12,24,26-27,32H,2-3,6-7,13-18,20-22H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50514302 (CHEMBL4452527) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant STAT3 (unknown origin) assessed as inhibition constant incubated for 1 hr by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00155 BindingDB Entry DOI: 10.7270/Q20R9T2F
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50514306 (CHEMBL4471887) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(C)CC2)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C39H44F2N7O8P/c1-47-19-18-27-13-16-32(37(52)44-29(15-17-33(42)49)35(50)46-34(23-8-4-2-5-9-23)24-10-6-3-7-11-24)48(27)38(53)31(22-47)45-36(51)30-21-25-20-26(12-14-28(25)43-30)39(40,41)57(54,55)56/h2-12,14,20-21,27,29,31-32,34,43H,13,15-19,22H2,1H3,(H2,42,49)(H,44,52)(H,45,51)(H,46,50)(H2,54,55,56)/t27-,29+,31+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...				J Med Chem 62: 11280-11300 (2019) Article DOI: 10.1021/acs.jmedchem.9b01530 BindingDB Entry DOI: 10.7270/Q2FF3WQF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50092311 (CHEMBL3581662) Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1 |(1.05,4.4,;.13,3.57,;-1.35,4.05,;-1.84,5.52,;-3.39,5.51,;-3.86,4.03,;-2.59,3.15,;-2.58,1.59,;-3.83,.85,;-3.83,-.63,;-2.58,-1.37,;-1.27,-.63,;,-1.37,;1.27,-.63,;2.56,-1.37,;3.87,-.63,;5.21,-1.41,;5.36,-2.94,;4.43,-3.77,;6.87,-3.26,;7.65,-1.92,;6.61,-.77,;6.86,.45,;3.87,.85,;5.21,1.63,;5.21,2.88,;2.56,1.59,;1.27,.85,;-1.27,.85,;-5.33,3.53,;-5.75,2.04,;-7.25,1.66,;-8.34,2.77,;-7.92,4.26,;-6.41,4.65,)| Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50092310 (CHEMBL3581661 | US9675697, Cpd. No. 23) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092310 (CHEMBL3581661 | US9675697, Cpd. No. 23) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Menin (Homo sapiens (Human))	BDBM50516578 (CHEMBL4453006) Show SMILES [H][C@@]1(CCC[C@@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H36N4O2/c1-23(36)37-30-9-5-8-29(30)31(22-33,26-6-3-2-4-7-26)27-14-16-34(17-15-27)19-25-20-35(21-25)28-12-10-24(18-32)11-13-28/h2-4,6-7,10-13,25,27,29-30H,5,8-9,14-17,19-21H2,1H3/t29-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50092341 (CHEMBL3581660 | US9675697, Cpd. No. 22) Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...				J Med Chem 58: 4927-39 (2015) Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50514297 (CHEMBL4575382) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H44F2N7O9P/c1-23(50)48-19-18-28-13-16-33(38(54)45-30(15-17-34(43)51)36(52)47-35(24-8-4-2-5-9-24)25-10-6-3-7-11-25)49(28)39(55)32(22-48)46-37(53)31-21-26-20-27(12-14-29(26)44-31)40(41,42)59(56,57)58/h2-12,14,20-21,28,30,32-33,35,44H,13,15-19,22H2,1H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H2,56,57,58)/t28-,30+,32+,33+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...				J Med Chem 62: 11280-11300 (2019) Article DOI: 10.1021/acs.jmedchem.9b01530 BindingDB Entry DOI: 10.7270/Q2FF3WQF
					More data for this Ligand-Target Pair				3D Structure (crystal)

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