Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50013072   

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
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562563 (CHEMBL4777068) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccc(N)cc3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562555 (CHEMBL4792495) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562564 (CHEMBL4777090) Show SMILES CN(C)c1ccc(cc1)-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562561 (CHEMBL4793476) Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562562 (CHEMBL4750081) Show SMILES COc1ccc(cc1OC)-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50069756 (CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562560 (CHEMBL4784855) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccc(Br)cc3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562554 (CHEMBL4795824) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccccc3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562557 (CHEMBL4746597) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccc(Cl)cc3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562559 (CHEMBL4800274) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccc(F)cc3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562566 (CHEMBL4791989) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccncc3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562565 (CHEMBL4779539) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccccn3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50439637 (CHEMBL2419601) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-13-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-16-15(10-14)12-23-24-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562568 (CHEMBL4777684) Show SMILES CN1CCN(CC1)c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562569 (CHEMBL4743517) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)N3CCOCC3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562570 (CHEMBL4798426) Show SMILES Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562567 (CHEMBL4780091) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)N3CCNCC3)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562571 (CHEMBL4740877) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(Cl)nc4ccccc34)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562574 (CHEMBL4785950) Show SMILES CC(C)Oc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562573 (CHEMBL4748488) Show SMILES CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562556 (CHEMBL4746220) Show SMILES Cc1ccccc1-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562572 (CHEMBL4761180) Show SMILES COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50562558 (CHEMBL4777434) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)CC(=O)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair