Compile Data Set for Download or QSAR

Found 18 hits of ki for UniProtKB: P38398   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380359 (CHEMBL2017822) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)C\C=C\c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H41N4O10P/c1-21(2)28(30(39)34-24(32(41)42)19-23-13-7-4-8-14-23)35-29(38)26-16-10-18-36(26)31(40)25(20-46-47(43,44)45)33-27(37)17-9-15-22-11-5-3-6-12-22/h3-9,11-15,21,24-26,28H,10,16-20H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42)(H2,43,44,45)/b15-9+/t24-,25-,26-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380358 (CHEMBL2017821) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C35H41N4O10P/c1-22(2)30(33(42)36-27(35(44)45)19-23-11-5-3-6-12-23)38-32(41)29-17-10-18-39(29)34(43)28(21-49-50(46,47)48)37-31(40)26-16-9-15-25(20-26)24-13-7-4-8-14-24/h3-9,11-16,20,22,27-30H,10,17-19,21H2,1-2H3,(H,36,42)(H,37,40)(H,38,41)(H,44,45)(H2,46,47,48)/t27-,28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380353 (CHEMBL2017816) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H41N4O10P/c1-20(2)27(29(38)33-23(31(40)41)18-22-12-7-4-8-13-22)34-28(37)25-14-9-17-35(25)30(39)24(19-45-46(42,43)44)32-26(36)16-15-21-10-5-3-6-11-21/h3-8,10-13,20,23-25,27H,9,14-19H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H,40,41)(H2,42,43,44)/t23-,24-,25-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380352 (CHEMBL2017815) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H46N5O11P/c1-22(2)32(35(46)39-29(37(48)49)19-24-10-5-4-6-11-24)41-34(45)31-14-9-17-42(31)36(47)30(21-53-54(50,51)52)40-33(44)28(38-23(3)43)20-25-15-16-26-12-7-8-13-27(26)18-25/h4-8,10-13,15-16,18,22,28-32H,9,14,17,19-21H2,1-3H3,(H,38,43)(H,39,46)(H,40,44)(H,41,45)(H,48,49)(H2,50,51,52)/t28-,29-,30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50345641 ((S)-2-((S)-2-((S)-1-((S)-2-acetamido-3-(phosphonoo...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H35N4O10P/c1-14(2)20(22(31)26-17(24(33)34)12-16-8-5-4-6-9-16)27-21(30)19-10-7-11-28(19)23(32)18(25-15(3)29)13-38-39(35,36)37/h4-6,8-9,14,17-20H,7,10-13H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)(H,33,34)(H2,35,36,37)/t17-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50345640 ((S)-2-((2S,3R)-2-((S)-1-((S)-2-acetamido-3-(phosph...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H33N4O11P/c1-13(28)19(21(31)25-16(23(33)34)11-15-7-4-3-5-8-15)26-20(30)18-9-6-10-27(18)22(32)17(24-14(2)29)12-38-39(35,36)37/h3-5,7-8,13,16-19,28H,6,9-12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)(H,33,34)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380354 (CHEMBL2017817) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H43N4O10P/c1-21(2)28(30(39)34-24(32(41)42)19-23-13-7-4-8-14-23)35-29(38)26-16-10-18-36(26)31(40)25(20-46-47(43,44)45)33-27(37)17-9-15-22-11-5-3-6-12-22/h3-8,11-14,21,24-26,28H,9-10,15-20H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42)(H2,43,44,45)/t24-,25-,26-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380351 (CHEMBL2017814) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H47N6O10P/c1-22(2)32(36(48)40-28(33(38)45)19-24-10-5-4-6-11-24)42-35(47)31-14-9-17-43(31)37(49)30(21-53-54(50,51)52)41-34(46)29(39-23(3)44)20-25-15-16-26-12-7-8-13-27(26)18-25/h4-8,10-13,15-16,18,22,28-32H,9,14,17,19-21H2,1-3H3,(H2,38,45)(H,39,44)(H,40,48)(H,41,46)(H,42,47)(H2,50,51,52)/t28-,29-,30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380349 (CHEMBL2017812) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H45N6O11P/c1-21(43)31(35(48)39-27(32(37)45)18-23-9-4-3-5-10-23)41-34(47)30-13-8-16-42(30)36(49)29(20-53-54(50,51)52)40-33(46)28(38-22(2)44)19-24-14-15-25-11-6-7-12-26(25)17-24/h3-7,9-12,14-15,17,21,27-31,43H,8,13,16,18-20H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)(H2,50,51,52)/t21-,27+,28+,29+,30+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50345623 ((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amino-1...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C23H34N5O10P/c1-13(29)19(22(33)26-16(20(24)31)11-15-7-4-3-5-8-15)27-21(32)18-9-6-10-28(18)23(34)17(25-14(2)30)12-38-39(35,36)37/h3-5,7-8,13,16-19,29H,6,9-12H2,1-2H3,(H2,24,31)(H,25,30)(H,26,33)(H,27,32)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50345629 ((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H36N5O9P/c1-14(2)20(23(33)27-17(21(25)31)12-16-8-5-4-6-9-16)28-22(32)19-10-7-11-29(19)24(34)18(26-15(3)30)13-38-39(35,36)37/h4-6,8-9,14,17-20H,7,10-13H2,1-3H3,(H2,25,31)(H,26,30)(H,27,33)(H,28,32)(H2,35,36,37)/t17-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380357 (CHEMBL2017820) Show SMILES COc1ccc(CCC(=O)N[C@@H](COP(O)(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1OC |r| Show InChI InChI=1S/C33H45N4O12P/c1-20(2)29(31(40)35-23(33(42)43)17-21-9-6-5-7-10-21)36-30(39)25-11-8-16-37(25)32(41)24(19-49-50(44,45)46)34-28(38)15-13-22-12-14-26(47-3)27(18-22)48-4/h5-7,9-10,12,14,18,20,23-25,29H,8,11,13,15-17,19H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)(H,42,43)(H2,44,45,46)/t23-,24-,25-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380355 (CHEMBL2017818) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C33H45N4O10P/c1-22(2)29(31(40)35-25(33(42)43)20-24-15-7-4-8-16-24)36-30(39)27-17-11-19-37(27)32(41)26(21-47-48(44,45)46)34-28(38)18-10-9-14-23-12-5-3-6-13-23/h3-8,12-13,15-16,22,25-27,29H,9-11,14,17-21H2,1-2H3,(H,34,38)(H,35,40)(H,36,39)(H,42,43)(H2,44,45,46)/t25-,26-,27-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380356 (CHEMBL2017819) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C34H41N4O10P/c1-21(2)30(32(41)36-26(34(43)44)18-22-10-4-3-5-11-22)37-31(40)28-16-9-17-38(28)33(42)27(20-48-49(45,46)47)35-29(39)19-24-14-8-13-23-12-6-7-15-25(23)24/h3-8,10-15,21,26-28,30H,9,16-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)(H,43,44)(H2,45,46,47)/t26-,27-,28-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50380350 (CHEMBL2017813) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H45N6O11P/c1-21(43)31(35(48)39-27(32(37)45)18-23-9-4-3-5-10-23)41-34(47)30-13-8-16-42(30)36(49)29(20-53-54(50,51)52)40-33(46)28(38-22(2)44)19-24-14-15-25-11-6-7-12-26(25)17-24/h3-7,9-12,14-15,17,21,27-31,43H,8,13,16,18-20H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)(H2,50,51,52)/t21-,27+,28-,29+,30+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay				ACS Med Chem Lett 2: 764-767 (2011) Article DOI: 10.1021/ml200147a BindingDB Entry DOI: 10.7270/Q2WH2R0Q
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50221433 (1-(9,10,10-trioxo-9,10-dihydro-10lambda*6*-thioxan...) Show SMILES NC(=O)C1CCN(CC1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 Show InChI InChI=1S/C19H18N2O4S/c20-19(23)12-7-9-21(10-8-12)13-5-6-15-17(11-13)26(24,25)16-4-2-1-3-14(16)18(15)22/h1-6,11-12H,7-10H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of BRCA1 assessed as BRCT-BACH1 interaction				Bioorg Med Chem Lett 17: 5940-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.103 BindingDB Entry DOI: 10.7270/Q2CJ8D7P
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50221434 (3-(4-benzyl-piperidin-1-yl)-10,10-dioxo-10H-10lamb...) Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H23NO3S/c27-25-21-8-4-5-9-23(21)30(28,29)24-17-20(10-11-22(24)25)26-14-12-19(13-15-26)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of BRCA1 assessed as BRCT-BACH1 interaction				Bioorg Med Chem Lett 17: 5940-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.103 BindingDB Entry DOI: 10.7270/Q2CJ8D7P
					More data for this Ligand-Target Pair
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50221432 (3-(4-methyl-piperidin-1-yl)-10,10-dioxo-10H-10lamb...) Show SMILES CC1CCN(CC1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 Show InChI InChI=1S/C19H19NO3S/c1-13-8-10-20(11-9-13)14-6-7-16-18(12-14)24(22,23)17-5-3-2-4-15(17)19(16)21/h2-7,12-13H,8-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of BRCA1 assessed as BRCT-BACH1 interaction				Bioorg Med Chem Lett 17: 5940-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.103 BindingDB Entry DOI: 10.7270/Q2CJ8D7P
					More data for this Ligand-Target Pair