Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'bain' 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
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50243981 (Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...) Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM81951 (CAS_104999 | DMCM | NSC_104999) Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	16.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	20.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	89.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM81951 (CAS_104999 | DMCM | NSC_104999) Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM50243981 (Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...) Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6 (Homo sapiens (Human))	BDBM50026756 (3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...) Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair