Compile Data Set for Download or QSAR

Found 492 hits with Last Name = 'goodman' 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D2 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D4.4 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D4.4 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D4.4 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT1A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT2A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-1A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-1B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D2 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D2 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT2A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT2A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2C receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2C receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-1B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-1B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-1A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-1A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2C receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	722	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT1A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	722	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT1A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	872	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT2C receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned histamine H1 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned histamine H1 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2A receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT2C receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned 5HT2C receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned adrenergic alpha-2B receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50185473 (4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....) Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A& M University Curated by ChEMBL					Assay Description Binding affinity to human cloned histamine H1 receptor by radioligand binding assay				Bioorg Med Chem Lett 16: 3219-23 (2006) Article DOI: 10.1016/j.bmcl.2006.03.057 BindingDB Entry DOI: 10.7270/Q2571BM5
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544213 (6-Chloro-1-(4- cyclopropyl-6- isopropyl-pyrimidin-...) Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.35,wD:26.30,(-2.65,-7.73,;-1.88,-6.4,;-2.65,-5.06,;-.34,-6.4,;.43,-7.73,;1.97,-7.73,;2.74,-6.4,;1.97,-5.06,;2.74,-3.73,;4.08,-2.96,;2.74,-2.19,;.43,-5.06,;-.77,-2.94,;,-1.6,;1.54,-1.6,;2.31,-.27,;1.54,1.06,;2.31,2.4,;,1.06,;-.77,-.27,;-2.31,-.27,;-3.08,-1.6,;-2.31,-2.94,;-3.08,-4.27,;-3.08,1.06,;-2.31,2.4,;-3.08,3.73,;-2.31,5.06,;-4.62,3.73,;-5.39,2.4,;-4.62,1.06,;-5.39,-.27,;-5.39,5.06,;-6.93,5.06,;-4.62,6.4,;-5.39,7.73,;3.85,-.27,;4.62,-1.6,;6.16,-1.6,;6.93,-.27,;6.16,1.06,;4.62,1.06,;3.85,2.4,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544157 (6-Chloro-1-(4,6- diisopropylpyrimidin- 5-yl)-4-[(2...) Show SMILES CC(C)c1ccccc1-c1nc2n(-c3c(ncnc3C(C)C)C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:35.38,wD:31.33,(3.11,3.07,;4.6,2.67,;5,4.15,;5.37,1.33,;6.91,1.33,;7.68,,;6.91,-1.33,;5.37,-1.33,;4.6,,;2.33,,;1.56,-1.33,;.02,-1.33,;-.75,-2.67,;.02,-4,;-.75,-5.33,;.02,-6.67,;1.56,-6.67,;2.33,-5.33,;1.56,-4,;2.33,-2.67,;3.87,-2.67,;2.73,-1.18,;-2.29,-5.33,;-3.78,-4.94,;-3.06,-6.67,;-2.29,-2.67,;-3.06,-4,;-3.06,-1.33,;-2.29,,;-3.06,1.33,;-2.29,2.67,;-3.06,4,;-2.29,5.33,;-4.6,4,;-5.37,2.67,;-4.6,1.33,;-5.37,,;-5.37,5.33,;-4.6,6.67,;-6.91,5.33,;-7.68,6.67,;-.75,,;.02,1.33,;1.56,1.33,;2.33,2.67,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544213 (6-Chloro-1-(4- cyclopropyl-6- isopropyl-pyrimidin-...) Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.35,wD:26.30,(-2.65,-7.73,;-1.88,-6.4,;-2.65,-5.06,;-.34,-6.4,;.43,-7.73,;1.97,-7.73,;2.74,-6.4,;1.97,-5.06,;2.74,-3.73,;4.08,-2.96,;2.74,-2.19,;.43,-5.06,;-.77,-2.94,;,-1.6,;1.54,-1.6,;2.31,-.27,;1.54,1.06,;2.31,2.4,;,1.06,;-.77,-.27,;-2.31,-.27,;-3.08,-1.6,;-2.31,-2.94,;-3.08,-4.27,;-3.08,1.06,;-2.31,2.4,;-3.08,3.73,;-2.31,5.06,;-4.62,3.73,;-5.39,2.4,;-4.62,1.06,;-5.39,-.27,;-5.39,5.06,;-6.93,5.06,;-4.62,6.4,;-5.39,7.73,;3.85,-.27,;4.62,-1.6,;6.16,-1.6,;6.93,-.27,;6.16,1.06,;4.62,1.06,;3.85,2.4,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544283 ((M)-N-[2-[6- Chloro-4- [(2S,5R)-2,5- dimethyl-4- p...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(F)cccc1NC(=O)C1CC1 |r,wU:28.32,wD:24.27,(-2.69,-6.57,;-1.93,-5.23,;-3.41,-4.83,;-.38,-5.23,;.38,-6.57,;1.93,-6.57,;2.69,-5.23,;1.93,-3.9,;2.69,-2.56,;.38,-3.9,;-.38,-2.56,;.38,-1.23,;1.93,-1.23,;2.69,.1,;1.93,1.44,;2.69,2.77,;.38,1.44,;-.38,.1,;-1.93,.1,;-2.69,-1.23,;-1.93,-2.56,;-2.69,-3.9,;-2.69,1.44,;-1.93,2.77,;-2.69,4.1,;-1.93,5.44,;-4.23,4.1,;-5,2.77,;-4.23,1.44,;-5,.1,;-5,5.44,;-4.23,6.77,;-6.54,5.44,;-7.31,6.77,;4.23,.1,;5,1.44,;4.23,2.77,;6.54,1.44,;7.31,.1,;6.54,-1.23,;5,-1.23,;4.23,-2.56,;5,-3.9,;6.54,-3.9,;4.23,-5.23,;2.9,-6,;4.23,-6.77,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544106 ((M)-6-Chloro- 7-(2,4- difluorophenyl)- 4-[(2S,5R)-...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccc(F)cc1F |r,wU:28.32,wD:24.27,(-3.47,-6.67,;-2.69,-5.33,;-4.18,-4.94,;-1.15,-5.33,;-.38,-6.67,;1.15,-6.67,;1.93,-5.33,;1.15,-4,;1.93,-2.67,;-.38,-4,;-1.15,-2.67,;-.38,-1.33,;1.15,-1.33,;1.93,,;1.15,1.33,;1.93,2.67,;-.38,1.33,;-1.15,,;-2.69,,;-3.47,-1.33,;-2.69,-2.67,;-3.47,-4,;-3.47,1.33,;-2.69,2.67,;-3.47,4,;-2.69,5.33,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5.78,5.33,;-5,6.67,;-7.31,5.33,;-8.08,6.67,;3.47,,;4.23,-1.33,;5.78,-1.33,;6.54,,;8.08,,;5.78,1.33,;4.23,1.33,;3.47,2.67,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544212 (US11285156, Ex.# 108-1) Show SMILES CC(C)c1ncnc(C2CC2)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.35,wD:26.30,(.33,-24.3,;1.1,-22.97,;.33,-21.63,;2.64,-22.97,;3.41,-24.3,;4.95,-24.3,;5.72,-22.97,;4.95,-21.63,;5.72,-20.3,;7.05,-19.53,;5.72,-18.76,;3.41,-21.63,;2.35,-19.8,;3.12,-18.47,;4.66,-18.47,;5.43,-17.13,;4.66,-15.8,;5.43,-14.46,;3.12,-15.8,;2.35,-17.13,;.81,-17.13,;.04,-18.47,;.81,-19.8,;.04,-21.13,;.04,-15.8,;.81,-14.46,;.04,-13.13,;.81,-11.8,;-1.5,-13.13,;-2.27,-14.46,;-1.5,-15.8,;-2.27,-17.13,;-2.27,-11.8,;-1.5,-10.46,;-3.81,-11.8,;-4.58,-10.46,;6.97,-17.13,;7.74,-18.47,;9.28,-18.47,;10.05,-17.13,;9.28,-15.8,;7.74,-15.8,;6.97,-14.46,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544107 ((M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-e...) Show SMILES COc1c(F)cccc1-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:33.36,wD:29.31,(5,4,;4.23,2.67,;5,1.33,;6.54,1.33,;7.31,2.67,;7.31,,;6.54,-1.33,;5,-1.33,;4.23,,;2.69,,;1.93,-1.33,;.38,-1.33,;-.38,-2.67,;.38,-4,;1.93,-4,;2.69,-2.67,;2.69,-5.33,;1.93,-6.67,;.38,-6.67,;-.38,-5.33,;-1.93,-5.33,;-2.69,-6.67,;-3.41,-4.94,;-1.93,-2.67,;-2.69,-4,;-2.69,-1.33,;-1.93,,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;-.38,,;.38,1.33,;1.93,1.33,;2.69,2.67,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544382 (4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-...) Show SMILES CC(C)c1nc(Br)nc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:29.33,wD:25.28,(-.23,-19.81,;1.11,-20.58,;1.11,-22.12,;2.44,-19.81,;3.21,-21.15,;4.75,-21.15,;5.52,-22.48,;5.52,-19.81,;4.75,-18.48,;5.52,-17.14,;3.21,-18.48,;2.44,-17.14,;3.21,-15.81,;4.75,-15.81,;5.52,-14.48,;4.75,-13.14,;5.52,-11.81,;3.21,-13.14,;2.44,-14.48,;.9,-14.48,;.13,-15.81,;.9,-17.14,;.13,-18.48,;.13,-13.14,;.9,-11.81,;.13,-10.48,;.9,-9.14,;-1.41,-10.48,;-2.18,-11.81,;-1.41,-13.14,;-2.18,-14.48,;-2.18,-9.14,;-1.41,-7.81,;-3.72,-9.14,;-4.49,-7.81,;7.06,-14.48,;7.83,-15.81,;9.37,-15.81,;10.14,-14.48,;9.37,-13.14,;7.83,-13.14,;7.06,-11.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D] ()	BDBM550333 (4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CR5XJV
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544076 ((M)-7-(2- Amino-4,5- difluoro- phenyl)-6- chloro-4...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cc(F)c(F)cc1N |r,wU:28.32,wD:24.27,(-3.47,-6.67,;-2.69,-5.33,;-4.18,-4.94,;-1.15,-5.33,;-.38,-6.67,;1.15,-6.67,;1.93,-5.33,;1.15,-4,;1.93,-2.67,;-.38,-4,;-1.15,-2.67,;-.38,-1.33,;1.15,-1.33,;1.93,,;1.15,1.33,;1.93,2.67,;-.38,1.33,;-1.15,,;-2.69,,;-3.47,-1.33,;-2.69,-2.67,;-3.47,-4,;-3.47,1.33,;-2.69,2.67,;-3.47,4,;-2.69,5.33,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5.78,5.33,;-5,6.67,;-7.31,5.33,;-8.08,6.67,;3.47,,;4.23,1.33,;5.78,1.33,;6.54,2.67,;6.54,,;8.08,,;5.78,-1.33,;4.23,-1.33,;3.47,-2.67,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D] ()	BDBM550345 ((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CR5XJV
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544428 (US11285156, Ex.# 222-2) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN([C@@H]2C[C@H]12)C(=O)C=C)-c1ccccc1F |r,wU:26.29,28.30,(-3.02,-15.27,;-1.69,-16.04,;-1.69,-17.58,;-.35,-15.27,;.42,-16.61,;1.96,-16.61,;2.73,-15.27,;1.96,-13.94,;2.73,-12.61,;.42,-13.94,;-.35,-12.61,;.42,-11.27,;1.96,-11.27,;2.73,-9.94,;1.96,-8.6,;2.73,-7.27,;.42,-8.6,;-.35,-9.94,;-1.89,-9.94,;-2.66,-11.27,;-1.89,-12.61,;-2.66,-13.94,;-2.66,-8.6,;-1.89,-7.27,;-2.66,-5.94,;-4.2,-5.94,;-4.97,-7.27,;-5.74,-8.6,;-4.2,-8.6,;-4.97,-4.6,;-4.18,-3.23,;-6.56,-4.6,;-7.35,-3.23,;4.27,-9.94,;5.04,-8.6,;6.58,-8.6,;7.35,-9.94,;6.58,-11.27,;5.04,-11.27,;4.27,-12.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544046 (US11285156, Ex.# 92-1) Show SMILES CC(C)c1ccccc1-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:33.36,wD:29.31,(6.39,-18.52,;7.16,-19.85,;7.93,-18.52,;7.93,-21.19,;9.47,-21.19,;10.24,-22.52,;9.47,-23.85,;7.93,-23.85,;7.16,-22.52,;5.62,-22.52,;4.85,-23.85,;3.31,-23.85,;2.54,-25.19,;3.31,-26.52,;4.85,-26.52,;5.62,-25.19,;5.62,-27.86,;4.85,-29.19,;3.31,-29.19,;2.54,-27.86,;1,-27.86,;.23,-29.19,;-.33,-27.09,;1,-25.19,;.23,-26.52,;.23,-23.85,;1,-22.52,;.23,-21.19,;1,-19.85,;.23,-18.52,;1,-17.19,;-1.31,-18.52,;-2.08,-19.85,;-1.31,-21.19,;-2.08,-22.52,;-2.08,-17.19,;-1.31,-15.85,;-3.62,-17.19,;-4.39,-15.85,;2.54,-22.52,;3.31,-21.19,;4.85,-21.19,;5.62,-19.85,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12D] ()	BDBM550344 ((M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CR5XJV
					More data for this Ligand-Target Pair
GTPase KRas [1-169,G12C,C118A] (Homo sapiens (Human))	BDBM544057 ((M)-7-(2- Aminophenyl)- 6-chloro-4- [(2S,5R)-2,5- ...) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1N |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,1.33,;6.54,1.33,;7.31,,;6.54,-1.33,;5,-1.33,;4.23,-2.67,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MS9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 492 total )  |  Next  |  Last  >>

Jump to: