Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'flamm' and Initial = 'r'   

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
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23.9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to Streptococcus pneumoniae isolate 8865 PBP2b				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to Streptococcus pneumoniae isolate 8865 PBP2b				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b Thr446Ala mutant in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b PBP2b 443SSNA mutant in Streptococcus pneumoniae isolate 8009 harboring E333G, N470K, E476G, T489S, E506D,...				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae isolate 8882 Bocillin FL binding to PBP2b 443SSNA mutant				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b Thr446Ala mutant in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b Thr446Ala/Ala-619-Gly mutant in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b Thr446Ala/Ala-619-Gly mutant in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b PBP2b 443SSNA mutant in Streptococcus pneumoniae isolate 8009 harboring E333G, N470K, E476G, T489S, E506D,...				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae isolate 8882 Bocillin FL binding to PBP2b 443SSNA mutant				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50000090 (CHEMBL66729) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2nccs2)c(F)c1 Show InChI InChI=1S/C17H15F2N3O3S/c1-10(23)21-8-13-9-22(17(24)25-13)12-3-2-11(14(18)7-12)6-15(19)16-20-4-5-26-16/h2-7,13H,8-9H2,1H3,(H,21,23)/b15-6-/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50000089 (CHEMBL69983) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccccc2)c(F)c1 Show InChI InChI=1S/C20H18BrFN2O3/c1-13(25)23-11-17-12-24(20(26)27-17)16-8-7-15(19(22)10-16)9-18(21)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,23,25)/b18-9-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50103601 (CHEBI:29007 | Ceftriaxone) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b in laboratory-derived Streptococcus pneumoniae isolate R6				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50103601 (CHEBI:29007 | Ceftriaxone) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to Streptococcus pneumoniae isolate 8865 PBP2b				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50103601 (CHEBI:29007 | Ceftriaxone) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b PBP2b 443SSNA mutant in Streptococcus pneumoniae isolate 8009 harboring E333G, N470K, E476G, T489S, E506D,...				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50103601 (CHEBI:29007 | Ceftriaxone) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b in Streptococcus pneumoniae isolate 8819 harboring E333G, I361L, E369D, S412P, N422Y, T426K, Q427L, Q438E,...				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50103601 (CHEBI:29007 | Ceftriaxone) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae isolate 8882 Bocillin FL binding to PBP2b 443SSNA mutant				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b in Streptococcus pneumoniae isolate 8819 harboring E333G, I361L, E369D, S412P, N422Y, T426K, Q427L, Q438E,...				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Mono aminoxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116058 (4-((Z)-2-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxaz...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2c(C)oc[n+]2C)c(F)c1 Show InChI InChI=1S/C19H19BrFN3O4/c1-11-18(23(3)10-27-11)16(20)6-13-4-5-14(7-17(13)21)24-9-15(28-19(24)26)8-22-12(2)25/h4-7,10,15H,8-9H2,1-3H3/p+1/b16-6-/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Penicillin-binding protein 2B (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Bocillin FL binding to PBP2b in Streptococcus pneumoniae isolate 8819 harboring E333G, I361L, E369D, S412P, N422Y, T426K, Q427L, Q438E,...				Antimicrob Agents Chemother 54: 4510-2 (2010) Article DOI: 10.1128/AAC.00590-10 BindingDB Entry DOI: 10.7270/Q29W0J91
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116059 (CHEMBL63456 | N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C\c2cccnc2)c(F)c1 Show InChI InChI=1S/C19H18FN3O3/c1-13(24)22-11-17-12-23(19(25)26-17)16-7-6-15(18(20)9-16)5-4-14-3-2-8-21-10-14/h2-10,17H,11-12H2,1H3,(H,22,24)/b5-4+/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116051 (CHEMBL69528 | N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccnc2)c(F)c1 Show InChI InChI=1S/C19H17F2N3O3/c1-12(25)23-10-16-11-24(19(26)27-16)15-5-4-13(18(21)8-15)7-17(20)14-3-2-6-22-9-14/h2-9,16H,10-11H2,1H3,(H,23,25)/b17-7-/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116062 (CHEMBL67796 | N-{(S)-3-[4-((Z)-2-Bromo-2-pyridin-3...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccnc2)c(F)c1 Show InChI InChI=1S/C19H17BrFN3O3/c1-12(25)23-10-16-11-24(19(26)27-16)15-5-4-13(18(21)8-15)7-17(20)14-3-2-6-22-9-14/h2-9,16H,10-11H2,1H3,(H,23,25)/b17-7-/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116072 (CHEMBL68290 | N-((S)-3-{4-[(Z)-2-Bromo-2-(3-cyano-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccc(c2)C#N)c(F)c1 Show InChI InChI=1S/C21H17BrFN3O3/c1-13(27)25-11-18-12-26(21(28)29-18)17-6-5-16(20(23)9-17)8-19(22)15-4-2-3-14(7-15)10-24/h2-9,18H,11-12H2,1H3,(H,25,27)/b19-8-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116070 (CHEMBL69609 | N-((S)-3-{4-[(Z)-2-Bromo-2-(3-hydrox...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccc(CO)c2)c(F)c1 Show InChI InChI=1S/C21H20BrFN2O4/c1-13(27)24-10-18-11-25(21(28)29-18)17-6-5-16(20(23)9-17)8-19(22)15-4-2-3-14(7-15)12-26/h2-9,18,26H,10-12H2,1H3,(H,24,27)/b19-8-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116052 (CHEMBL67288 | N-((S)-3-{4-[(Z)-2-Bromo-2-(4-cyano-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C21H17BrFN3O3/c1-13(27)25-11-18-12-26(21(28)29-18)17-7-6-16(20(23)9-17)8-19(22)15-4-2-14(10-24)3-5-15/h2-9,18H,11-12H2,1H3,(H,25,27)/b19-8-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116057 (CHEMBL67481 | N-((S)-3-{4-[(Z)-2-Bromo-2-(2-cyano-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccccc2C#N)c(F)c1 Show InChI InChI=1S/C21H17BrFN3O3/c1-13(27)25-11-17-12-26(21(28)29-17)16-7-6-14(20(23)9-16)8-19(22)18-5-3-2-4-15(18)10-24/h2-9,17H,11-12H2,1H3,(H,25,27)/b19-8-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116071 (CHEMBL65595 | N-{(S)-3-[4-((Z)-2-Bromo-2-pyridin-4...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2ccncc2)c(F)c1 Show InChI InChI=1S/C19H17BrFN3O3/c1-12(25)23-10-16-11-24(19(26)27-16)15-3-2-14(18(21)9-15)8-17(20)13-4-6-22-7-5-13/h2-9,16H,10-11H2,1H3,(H,23,25)/b17-8-/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116053 (CHEMBL66269 | N-((S)-3-{4-[(Z)-2-(5-Cyano-thiophen...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2csc(c2)C#N)c(F)c1 Show InChI InChI=1S/C19H15F2N3O3S/c1-11(25)23-8-15-9-24(19(26)27-15)14-3-2-12(18(21)6-14)5-17(20)13-4-16(7-22)28-10-13/h2-6,10,15H,8-9H2,1H3,(H,23,25)/b17-5-/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116056 (CHEMBL428699 | N-((S)-3-{4-[(Z)-2-Bromo-2-(3-formy...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cccc(C=O)c2)c(F)c1 Show InChI InChI=1S/C21H18BrFN2O4/c1-13(27)24-10-18-11-25(21(28)29-18)17-6-5-16(20(23)9-17)8-19(22)15-4-2-3-14(7-15)12-26/h2-9,12,18H,10-11H2,1H3,(H,24,27)/b19-8-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116066 (CHEMBL69166 | N-((S)-3-{4-[(Z)-2-(5-Cyano-pyridin-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cncc(c2)C#N)c(F)c1 Show InChI InChI=1S/C20H16F2N4O3/c1-12(27)25-10-17-11-26(20(28)29-17)16-3-2-14(19(22)6-16)5-18(21)15-4-13(7-23)8-24-9-15/h2-6,8-9,17H,10-11H2,1H3,(H,25,27)/b18-5-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116065 (CHEMBL308441 | N-((S)-3-{3-Fluoro-4-[(Z)-2-fluoro-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(C=O)c2)c(F)c1 Show InChI InChI=1S/C21H18F2N2O4/c1-13(27)24-10-18-11-25(21(28)29-18)17-6-5-16(20(23)9-17)8-19(22)15-4-2-3-14(7-15)12-26/h2-9,12,18H,10-11H2,1H3,(H,24,27)/b19-8-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116064 (CHEMBL66571 | N-((S)-3-{3-Fluoro-4-[(Z)-2-fluoro-2...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2nnn(C)n2)c(F)c1 Show InChI InChI=1S/C16H16F2N6O3/c1-9(25)19-7-12-8-24(16(26)27-12)11-4-3-10(13(17)6-11)5-14(18)15-20-22-23(2)21-15/h3-6,12H,7-8H2,1-2H3,(H,19,25)/b14-5-/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116055 (3-((Z)-2-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxaz...) Show SMILES COC(=O)c1cccc(c1)C(\Br)=C\c1ccc(cc1F)N1C[C@H](CNC(C)=O)OC1=O Show InChI InChI=1S/C22H20BrFN2O5/c1-13(27)25-11-18-12-26(22(29)31-18)17-7-6-15(20(24)10-17)9-19(23)14-4-3-5-16(8-14)21(28)30-2/h3-10,18H,11-12H2,1-2H3,(H,25,27)/b19-9-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116054 (CHEMBL67688 | N-((S)-3-{4-[(Z)-2-(3-Acetyl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(c2)C(C)=O)c(F)c1 Show InChI InChI=1S/C22H20F2N2O4/c1-13(27)15-4-3-5-16(8-15)20(23)9-17-6-7-18(10-21(17)24)26-12-19(30-22(26)29)11-25-14(2)28/h3-10,19H,11-12H2,1-2H3,(H,25,28)/b20-9-/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116068 (CHEMBL303675 | N-((S)-3-{4-[(E)-2-(5-Cyano-pyridin...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C\c2cncc(c2)C#N)c(F)c1 Show InChI InChI=1S/C20H17FN4O3/c1-13(26)24-11-18-12-25(20(27)28-18)17-5-4-16(19(21)7-17)3-2-14-6-15(8-22)10-23-9-14/h2-7,9-10,18H,11-12H2,1H3,(H,24,26)/b3-2+/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116061 (CHEMBL68078 | N-((S)-3-{4-[(Z)-2-(3-Cyano-phenyl)-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(c2)C#N)c(F)c1 Show InChI InChI=1S/C21H17F2N3O3/c1-13(27)25-11-18-12-26(21(28)29-18)17-6-5-16(20(23)9-17)8-19(22)15-4-2-3-14(7-15)10-24/h2-9,18H,11-12H2,1H3,(H,25,27)/b19-8-/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116063 (CHEMBL69975 | N-((S)-3-{4-[(Z)-2-Bromo-2-(5-cyano-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cncc(c2)C#N)c(F)c1 Show InChI InChI=1S/C20H16BrFN4O3/c1-12(27)25-10-17-11-26(20(28)29-17)16-3-2-14(19(22)6-16)5-18(21)15-4-13(7-23)8-24-9-15/h2-6,8-9,17H,10-11H2,1H3,(H,25,27)/b18-5-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116073 (CHEMBL68180 | N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cncnc2)c(F)c1 Show InChI InChI=1S/C18H16F2N4O3/c1-11(25)23-8-15-9-24(18(26)27-15)14-3-2-12(17(20)5-14)4-16(19)13-6-21-10-22-7-13/h2-7,10,15H,8-9H2,1H3,(H,23,25)/b16-4-/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
					More data for this Ligand-Target Pair