Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'inard' 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
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569703 (CHEMBL4851703) Show SMILES Oc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569685 (CHEMBL4877631) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569681 (CHEMBL4867398) Show SMILES C(Oc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569686 (CHEMBL4868540) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569680 (CHEMBL4862416) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569689 (CHEMBL4855728) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569696 (CHEMBL4867248) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569690 (CHEMBL4876416) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569699 (CHEMBL4855195) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(OC)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569698 (CHEMBL4855265) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569692 (CHEMBL4864504) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569688 (CHEMBL4848727) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569697 (CHEMBL4860974) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569687 (CHEMBL4862171) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569691 (CHEMBL4866009) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569684 (CHEMBL4865343) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569683 (CHEMBL4849406) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569682 (CHEMBL4849131) Show SMILES COc1cccc(c1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569679 (CHEMBL4855927) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569702 (CHEMBL4864325) Show SMILES Clc1ccc(C2C\C(=N/c3ccc(I)cc3)N2c2ccc(OCc3ccccc3)cc2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569704 (CHEMBL4848912) Show SMILES OCc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569694 (CHEMBL4876790) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569705 (CHEMBL4853896) Show SMILES OC(=O)c1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569695 (CHEMBL4875502) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569701 (CHEMBL4872507) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569693 (CHEMBL4854293) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569700 (CHEMBL4872541) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) Show SMILES CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli using trans-2-dodecenoyl-coenzyme-A as substrate				Eur J Med Chem 52: 275-83 (2012) Article DOI: 10.1016/j.ejmech.2012.03.029 BindingDB Entry DOI: 10.7270/Q2TB17XW
					More data for this Ligand-Target Pair				3D Structure (crystal)