Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data   

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
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase   (464/464 = 100%)† (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)

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