Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'joud' and Initial = 'c'   

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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235402 (CHEMBL4077934) Show SMILES COc1ccc2nc(CNC(=O)c3ccc(cc3)-c3cnc(Nc4ccccc4)nc3OCC3CCNCC3)[nH]c2c1 Show InChI InChI=1S/C32H33N7O3/c1-41-25-11-12-27-28(17-25)38-29(37-27)19-34-30(40)23-9-7-22(8-10-23)26-18-35-32(36-24-5-3-2-4-6-24)39-31(26)42-20-21-13-15-33-16-14-21/h2-12,17-18,21,33H,13-16,19-20H2,1H3,(H,34,40)(H,37,38)(H,35,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235407 (CHEMBL4088246) Show SMILES O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1OCC1CCNCC1 Show InChI InChI=1S/C31H31N7O2/c39-29(33-19-28-36-26-8-4-5-9-27(26)37-28)23-12-10-22(11-13-23)25-18-34-31(35-24-6-2-1-3-7-24)38-30(25)40-20-21-14-16-32-17-15-21/h1-13,18,21,32H,14-17,19-20H2,(H,33,39)(H,36,37)(H,34,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235399 (CHEMBL4092605) Show SMILES CNc1ncc(-c2ccc(cc2)C(=O)NCc2nc3ccc(OC)cc3[nH]2)c(OCC2CCNCC2)n1 Show InChI InChI=1S/C27H31N7O3/c1-28-27-31-14-21(26(34-27)37-16-17-9-11-29-12-10-17)18-3-5-19(6-4-18)25(35)30-15-24-32-22-8-7-20(36-2)13-23(22)33-24/h3-8,13-14,17,29H,9-12,15-16H2,1-2H3,(H,30,35)(H,32,33)(H,28,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235401 (CHEMBL4071823) Show SMILES COc1ccc2nc(CNC(=O)c3ccc(cc3)-c3cnccc3OCC3CCNCC3)[nH]c2c1 Show InChI InChI=1S/C27H29N5O3/c1-34-21-6-7-23-24(14-21)32-26(31-23)16-30-27(33)20-4-2-19(3-5-20)22-15-29-13-10-25(22)35-17-18-8-11-28-12-9-18/h2-7,10,13-15,18,28H,8-9,11-12,16-17H2,1H3,(H,30,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235404 (CHEMBL4085799) Show SMILES O=C(CNC(=O)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1OCC1CCNCC1)Nc1ccccc1 Show InChI InChI=1S/C31H32N6O3/c38-28(35-25-7-3-1-4-8-25)20-33-29(39)24-13-11-23(12-14-24)27-19-34-31(36-26-9-5-2-6-10-26)37-30(27)40-21-22-15-17-32-18-16-22/h1-14,19,22,32H,15-18,20-21H2,(H,33,39)(H,35,38)(H,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235406 (CHEMBL4066968) Show SMILES CNc1ncc(-c2ccc(cc2)C(=O)NCc2nc3ccccc3[nH]2)c(OCC2CCNCC2)n1 Show InChI InChI=1S/C26H29N7O2/c1-27-26-30-14-20(25(33-26)35-16-17-10-12-28-13-11-17)18-6-8-19(9-7-18)24(34)29-15-23-31-21-4-2-3-5-22(21)32-23/h2-9,14,17,28H,10-13,15-16H2,1H3,(H,29,34)(H,31,32)(H,27,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235405 (CHEMBL4095977) Show SMILES O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)-c1cnccc1OCC1CCNCC1 Show InChI InChI=1S/C26H27N5O2/c32-26(29-16-25-30-22-3-1-2-4-23(22)31-25)20-7-5-19(6-8-20)21-15-28-14-11-24(21)33-17-18-9-12-27-13-10-18/h1-8,11,14-15,18,27H,9-10,12-13,16-17H2,(H,29,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426420 (CHEMBL2322027) Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C+]1[N-]S(=O)(=O)c2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44-45H,20-25,28-29H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426417 (CHEMBL2326745) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426413 (CHEMBL2322021) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426414 (CHEMBL2322020) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426417 (CHEMBL2326745) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426421 (CHEMBL2322026) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426418 (CHEMBL2326744) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426413 (CHEMBL2322021) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426416 (CHEMBL2326746) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426415 (CHEMBL2326747) Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426412 (CHEMBL2322022) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426412 (CHEMBL2322022) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426423 (CHEMBL2322024) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cccc2cc(cnc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClN7O4S2/c1-49(2)22-21-36(31-57-38-11-4-3-5-12-38)47-41-20-19-39(28-43(41)52(53)54)58(55,56)48-42-14-8-10-33-27-37(29-46-44(33)42)51-25-23-50(24-26-51)30-34-9-6-7-13-40(34)32-15-17-35(45)18-16-32/h3-20,27-29,36,47-48H,21-26,30-31H2,1-2H3/t36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426416 (CHEMBL2326746) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426415 (CHEMBL2326747) Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235403 (CHEMBL4065944) Show SMILES CNc1ncc(-c2ccc(cc2)C(=O)NCC(=O)Nc2ccccc2)c(OCC2CCNCC2)n1 Show InChI InChI=1S/C26H30N6O3/c1-27-26-30-15-22(25(32-26)35-17-18-11-13-28-14-12-18)19-7-9-20(10-8-19)24(34)29-16-23(33)31-21-5-3-2-4-6-21/h2-10,15,18,28H,11-14,16-17H2,1H3,(H,29,34)(H,31,33)(H,27,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426414 (CHEMBL2322020) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50235400 (CHEMBL4093545) Show SMILES O=C(CNC(=O)c1ccc(cc1)-c1cnccc1OCC1CCNCC1)Nc1ccccc1 Show InChI InChI=1S/C26H28N4O3/c31-25(30-22-4-2-1-3-5-22)17-29-26(32)21-8-6-20(7-9-21)23-16-28-15-12-24(23)33-18-19-10-13-27-14-11-19/h1-9,12,15-16,19,27H,10-11,13-14,17-18H2,(H,29,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235400 (CHEMBL4093545) Show SMILES O=C(CNC(=O)c1ccc(cc1)-c1cnccc1OCC1CCNCC1)Nc1ccccc1 Show InChI InChI=1S/C26H28N4O3/c31-25(30-22-4-2-1-3-5-22)17-29-26(32)21-8-6-20(7-9-21)23-16-28-15-12-24(23)33-18-19-10-13-27-14-11-19/h1-9,12,15-16,19,27H,10-11,13-14,17-18H2,(H,29,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426419 (CHEMBL2322029) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2CN(Cc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H49ClF3N7O5S3/c46-34-12-10-32(11-13-34)39-9-5-4-6-33(39)27-55-20-17-36(18-21-55)56-28-40-42(29-56)50-31-51-44(40)53-64(59,60)38-14-15-41(43(26-38)63(57,58)45(47,48)49)52-35(16-19-54-22-24-61-25-23-54)30-62-37-7-2-1-3-8-37/h1-15,26,31,35-36,52H,16-25,27-30H2,(H,50,51,53)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426424 (CHEMBL2322023) Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1cccc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C47H49ClN6O5S2/c48-38-15-13-35(14-16-38)43-11-5-4-7-37(43)33-52-23-25-53(26-24-52)40-17-19-44-36(31-40)8-6-12-45(44)50-61(57,58)42-18-20-46(47(32-42)54(55)56)49-39(21-22-51-27-29-59-30-28-51)34-60-41-9-2-1-3-10-41/h1-20,31-32,39,49-50H,21-30,33-34H2/t39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50235401 (CHEMBL4071823) Show SMILES COc1ccc2nc(CNC(=O)c3ccc(cc3)-c3cnccc3OCC3CCNCC3)[nH]c2c1 Show InChI InChI=1S/C27H29N5O3/c1-34-21-6-7-23-24(14-21)32-26(31-23)16-30-27(33)20-4-2-19(3-5-20)22-15-29-13-10-25(22)35-17-18-8-11-28-12-9-18/h2-7,10,13-15,18,28H,8-9,11-12,16-17H2,1H3,(H,30,33)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426422 (CHEMBL2322025) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nn(C)c2nc(ncc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C41H45ClN10O4S2/c1-48(2)20-19-32(28-57-33-10-5-4-6-11-33)44-37-18-17-34(25-38(37)52(53)54)58(55,56)47-39-36-26-43-41(45-40(36)49(3)46-39)51-23-21-50(22-24-51)27-30-9-7-8-12-35(30)29-13-15-31(42)16-14-29/h4-18,25-26,32,44H,19-24,27-28H2,1-3H3,(H,46,47)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485626 (CHEMBL2089285) Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC1)C(=O)C2 |r| Show InChI InChI=1S/C34H38ClN3O4S/c1-33(2)27-15-16-34(33,31(39)21-27)23-43(41,42)36-32(40)25-9-13-29(14-10-25)38-19-17-37(18-20-38)22-26-5-3-4-6-30(26)24-7-11-28(35)12-8-24/h3-14,27H,15-23H2,1-2H3,(H,36,40)/t27?,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485627 (CHEMBL2089283) Show SMILES CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C28H32ClN3O3S/c1-28(2,3)36(34,35)30-27(33)22-10-14-25(15-11-22)32-18-16-31(17-19-32)20-23-6-4-5-7-26(23)21-8-12-24(29)13-9-21/h4-15H,16-20H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485625 (CHEMBL2089288) Show SMILES C[C@]12C[C@](C)([C@H](CS(=O)(=O)NC(=O)c3ccc(cc3)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)CC1)C2(C)C |r| Show InChI InChI=1S/C36H44ClN3O3S/c1-34(2)35(3)18-17-29(36(34,4)25-35)24-44(42,43)38-33(41)27-11-15-31(16-12-27)40-21-19-39(20-22-40)23-28-7-5-6-8-32(28)26-9-13-30(37)14-10-26/h5-16,29H,17-25H2,1-4H3,(H,38,41)/t29-,35+,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485624 (CHEMBL2089292) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)CC12CC3CC1CC(C2)C3 |THB:38:39:34:36.37,38:37:34:40.41.39| Show InChI InChI=1S/C34H38ClN3O3S/c35-30-9-5-26(6-10-30)32-4-2-1-3-28(32)22-37-13-15-38(16-14-37)31-11-7-27(8-12-31)33(39)36-42(40,41)23-34-20-24-17-25(21-34)19-29(34)18-24/h1-12,24-25,29H,13-23H2,(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485623 (CHEMBL2089287) Show SMILES C[C@@]12C[C@@](C)([C@@H](CS(=O)(=O)NC(=O)c3ccc(cc3)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)CC1)C2(C)C |r| Show InChI InChI=1S/C36H44ClN3O3S/c1-34(2)35(3)18-17-29(36(34,4)25-35)24-44(42,43)38-33(41)27-11-15-31(16-12-27)40-21-19-39(20-22-40)23-28-7-5-6-8-32(28)26-9-13-30(37)14-10-26/h5-16,29H,17-25H2,1-4H3,(H,38,41)/t29-,35+,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485622 (CHEMBL2089284) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)C12CC3CC(CC(C3)C1)C2 |TLB:29:32:35:39.37.38,THB:37:36:33:39.38.40,37:38:35.36.41:33,40:38:35:41.32.33,40:32:35:39.37.38| Show InChI InChI=1S/C34H38ClN3O3S/c35-30-9-5-27(6-10-30)32-4-2-1-3-29(32)23-37-13-15-38(16-14-37)31-11-7-28(8-12-31)33(39)36-42(40,41)34-20-24-17-25(21-34)19-26(18-24)22-34/h1-12,24-26H,13-23H2,(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485621 (CHEMBL2089281) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H26ClN3O3S/c1-33(31,32)27-25(30)20-8-12-23(13-9-20)29-16-14-28(15-17-29)18-21-4-2-3-5-24(21)19-6-10-22(26)11-7-19/h2-13H,14-18H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485620 (CHEMBL2089293) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)CC12CC3CC(C1)CCC(C3)C2 |TLB:36:35:43:38.37.40.39,36:37:34.35.42:43,THB:40:41:34:38.36.37,39:37:34:42.41.43| Show InChI InChI=1S/C36H42ClN3O3S/c37-32-11-7-29(8-12-32)34-4-2-1-3-31(34)24-39-15-17-40(18-16-39)33-13-9-30(10-14-33)35(41)38-44(42,43)25-36-21-26-5-6-27(22-36)20-28(19-26)23-36/h1-4,7-14,26-28H,5-6,15-25H2,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485619 (CHEMBL2089291) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:36:37:34.35.40:41,THB:36:35:41:42.37.38,38:37:34:40.39.41,38:39:34:42.36.37| Show InChI InChI=1S/C34H39ClN4O3S/c35-30-9-5-27(6-10-30)32-4-2-1-3-29(32)23-38-13-15-39(16-14-38)31-11-7-28(8-12-31)33(40)36-43(41,42)37-34-20-24-17-25(21-34)19-26(18-24)22-34/h1-12,24-26,37H,13-23H2,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer/Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50485615 (CHEMBL2089282) Show SMILES CCS(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C26H28ClN3O3S/c1-2-34(32,33)28-26(31)21-9-13-24(14-10-21)30-17-15-29(16-18-30)19-22-5-3-4-6-25(22)20-7-11-23(27)12-8-20/h3-14H,2,15-19H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485616 (CHEMBL2089286) Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC1)C(=O)C2 |r| Show InChI InChI=1S/C34H38ClN3O4S/c1-33(2)27-15-16-34(33,31(39)21-27)23-43(41,42)36-32(40)25-9-13-29(14-10-25)38-19-17-37(18-20-38)22-26-5-3-4-6-30(26)24-7-11-28(35)12-8-24/h3-14,27H,15-23H2,1-2H3,(H,36,40)/t27?,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485617 (CHEMBL2089289) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)CCC12CC3CC(CC(C3)C1)C2 |TLB:37:38:35.36.41:42,THB:37:36:42:43.38.39,39:38:35:41.40.42,39:40:35:43.37.38| Show InChI InChI=1S/C36H42ClN3O3S/c37-32-9-5-29(6-10-32)34-4-2-1-3-31(34)25-39-14-16-40(17-15-39)33-11-7-30(8-12-33)35(41)38-44(42,43)18-13-36-22-26-19-27(23-36)21-28(20-26)24-36/h1-12,26-28H,13-25H2,(H,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Bcl-2 homologous antagonist/killer (Homo sapiens)	BDBM50485618 (CHEMBL2089290) Show SMILES Clc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:36:37:34.35.40:41,THB:36:35:41:42.37.38,38:37:34:40.39.41,38:39:34:42.36.37| Show InChI InChI=1S/C35H40ClN3O3S/c36-31-9-5-28(6-10-31)33-4-2-1-3-30(33)23-38-13-15-39(16-14-38)32-11-7-29(8-12-32)34(40)37-43(41,42)24-35-20-25-17-26(21-35)19-27(18-25)22-35/h1-12,25-27H,13-24H2,(H,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Mcl1-BAK interaction				ACS Med Chem Lett 3: 579-83 (2012) Article DOI: 10.1021/ml300095a BindingDB Entry DOI: 10.7270/Q23X89GW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426412 (CHEMBL2322022) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426413 (CHEMBL2322021) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426414 (CHEMBL2322020) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426415 (CHEMBL2326747) Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair

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