Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'sinz' and Initial = 'mw'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614709 (CHEMBL5273615) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614704 (CHEMBL5279540) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614710 (CHEMBL5267407) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614709 (CHEMBL5273615) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614703 (CHEMBL5269992) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614705 (CHEMBL5287356) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50454785 (CHEMBL4207581) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614708 (CHEMBL5272014) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614702 (CHEMBL5285519) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614706 (CHEMBL5280327) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614693 (CHEMBL5272231) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614710 (CHEMBL5267407) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27887 (4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-...) Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O Show InChI InChI=1S/C26H32ClN7O2/c1-17-13-19(18-4-8-33(9-5-18)11-12-36-2)14-22-24(17)32-25(31-22)23-21(3-6-29-26(23)35)28-7-10-34-16-20(27)15-30-34/h3,6,13-16,18H,4-5,7-12H2,1-2H3,(H,31,32)(H2,28,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27881 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C29H34ClN5O3/c1-18-14-21(19-7-10-35(11-8-19)12-13-38-2)16-24-27(18)34-28(33-24)26-23(6-9-31-29(26)37)32-17-25(36)20-4-3-5-22(30)15-20/h3-6,9,14-16,19,25,36H,7-8,10-13,17H2,1-2H3,(H,33,34)(H2,31,32,37)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27884 (4-{[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyeth...) Show SMILES COc1ccc(cc1Cl)[C@H](O)CNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)C1CCN(CCCF)CC1 |r| Show InChI InChI=1S/C30H35ClFN5O3/c1-18-14-21(19-7-12-37(13-8-19)11-3-9-32)16-24-28(18)36-29(35-24)27-23(6-10-33-30(27)39)34-17-25(38)20-4-5-26(40-2)22(31)15-20/h4-6,10,14-16,19,25,38H,3,7-9,11-13,17H2,1-2H3,(H,35,36)(H2,33,34,39)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27880 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C27H30ClN5O2/c1-16-12-19(17-7-10-33(2)11-8-17)14-22-25(16)32-26(31-22)24-21(6-9-29-27(24)35)30-15-23(34)18-4-3-5-20(28)13-18/h3-6,9,12-14,17,23,34H,7-8,10-11,15H2,1-2H3,(H,31,32)(H2,29,30,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27883 (4-{[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyeth...) Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2ccc(OC)c(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C30H36ClN5O4/c1-18-14-21(19-7-10-36(11-8-19)12-13-39-2)16-24-28(18)35-29(34-24)27-23(6-9-32-30(27)38)33-17-25(37)20-4-5-26(40-3)22(31)15-20/h4-6,9,14-16,19,25,37H,7-8,10-13,17H2,1-3H3,(H,34,35)(H2,32,33,38)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614707 (CHEMBL5287058) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27886 (4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCO)CC1 Show InChI InChI=1S/C25H30ClN7O2/c1-16-12-18(17-3-7-32(8-4-17)10-11-34)13-21-23(16)31-24(30-21)22-20(2-5-28-25(22)35)27-6-9-33-15-19(26)14-29-33/h2,5,12-15,17,34H,3-4,6-11H2,1H3,(H,30,31)(H2,27,28,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614699 (CHEMBL5267732) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27885 (4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-[4-...) Show SMILES CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O Show InChI InChI=1S/C24H28ClN7O/c1-15-11-17(16-4-8-31(2)9-5-16)12-20-22(15)30-23(29-20)21-19(3-6-27-24(21)33)26-7-10-32-14-18(25)13-28-32/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,29,30)(H2,26,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614698 (CHEMBL5286959) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27882 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)C1CCN(CCCF)CC1 |r| Show InChI InChI=1S/C29H33ClFN5O2/c1-18-14-21(19-7-12-36(13-8-19)11-3-9-31)16-24-27(18)35-28(34-24)26-23(6-10-32-29(26)38)33-17-25(37)20-4-2-5-22(30)15-20/h2,4-6,10,14-16,19,25,37H,3,7-9,11-13,17H2,1H3,(H,34,35)(H2,32,33,38)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614701 (CHEMBL5270232) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27888 (4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCCF)CC1 Show InChI InChI=1S/C26H31ClFN7O/c1-17-13-19(18-4-10-34(11-5-18)9-2-6-28)14-22-24(17)33-25(32-22)23-21(3-7-30-26(23)36)29-8-12-35-16-20(27)15-31-35/h3,7,13-16,18H,2,4-6,8-12H2,1H3,(H,32,33)(H2,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	37
Bristol-Myers Squibb Company					Assay Description The inhibition of recombinant human CYP3A4 was measured as the ability to perform a dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Befo...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM340794 (4'-(2-(tert-butyl) phenoxy)-3'-(3-(2- fluorophenyl...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2F)c1 Show InChI InChI=1S/C31H29FN2O5/c1-31(2,3)22-9-5-8-12-27(22)39-28-16-14-20(19-13-15-26(38-4)21(17-19)29(35)36)18-25(28)34-30(37)33-24-11-7-6-10-23(24)32/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614700 (CHEMBL5288516) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614695 (CHEMBL5286917) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50614704 (CHEMBL5279540) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50614705 (CHEMBL5287356) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614694 (CHEMBL5283336) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50614709 (CHEMBL5273615) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50614703 (CHEMBL5269992) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614697 (CHEMBL5286519) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50614702 (CHEMBL5285519) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50614709 (CHEMBL5273615) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50614698 (CHEMBL5286959) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50614696 (CHEMBL5266607) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50614699 (CHEMBL5267732) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50614706 (CHEMBL5280327) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50461550 (CHEMBL2403888) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C35H47N5O9S/c1-9-21-18-35(21,31(43)39-50(45,46)24-11-12-24)38-28(41)26-17-23(48-29-25-13-10-22(47-8)16-20(25)14-15-36-29)19-40(26)30(42)27(33(2,3)4)37-32(44)49-34(5,6)7/h9-10,13-16,21,23-24,26-27H,1,11-12,17-19H2,2-8H3,(H,37,44)(H,38,41)(H,39,43)/t21-,23-,26+,27-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 1708-29 (2014) Article DOI: 10.1021/jm401840s BindingDB Entry DOI: 10.7270/Q2WW7MPQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454785 (CHEMBL4207581) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454785 (CHEMBL4207581) Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50614708 (CHEMBL5272014) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50614707 (CHEMBL5287058) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50614710 (CHEMBL5267407) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50614710 (CHEMBL5267407) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM340794 (4'-(2-(tert-butyl) phenoxy)-3'-(3-(2- fluorophenyl...) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2F)c1 Show InChI InChI=1S/C31H29FN2O5/c1-31(2,3)22-9-5-8-12-27(22)39-28-16-14-20(19-13-15-26(38-4)21(17-19)29(35)36)18-25(28)34-30(37)33-24-11-7-6-10-23(24)32/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 132 total )  |  Next  |  Last  >>

Jump to: