Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'jones' and Initial = 'dk'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM85136 (CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942) Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055810 (1-Phenyl-4-(2-phenyl-3H-imidazol-4-ylmethyl)-piper...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,15H,11-14,16H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055807 (2-[4-(5-Methyl-2-phenyl-3H-imidazol-4-ylmethyl)-pi...) Show SMILES Cc1nc([nH]c1CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C19H22N6/c1-15-17(23-18(22-15)16-6-3-2-4-7-16)14-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9H,10-14H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055808 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-2-yl...) Show SMILES C(N1CCN(CC1)c1ccccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50454548 (CHEMBL2092832) Show SMILES [H][C@@](CCCNC(N)N)(NS(=O)(=O)c1cccc2CC(C)CNc12)C(=O)N1CC[C@@H](C)C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H38N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,23,26-28H,4,6,8-13,24-25H2,1-2H3,(H,31,32)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition constant against human thrombin				J Med Chem 40: 1539-49 (1997) Article DOI: 10.1021/jm960684e BindingDB Entry DOI: 10.7270/Q2319WJ7
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50057802 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CCN(CC1)C(=O)[C@H](CCCNC(N)N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C22H38N6O3S/c1-15-8-11-28(12-9-15)21(29)18(6-4-10-25-22(23)24)27-32(30,31)19-7-3-5-17-13-16(2)14-26-20(17)19/h3,5,7,15-16,18,22,25-27H,4,6,8-14,23-24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition constant against human thrombin				J Med Chem 40: 1539-49 (1997) Article DOI: 10.1021/jm960684e BindingDB Entry DOI: 10.7270/Q2319WJ7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055813 (4-(2-Phenyl-3H-imidazol-4-ylmethyl)-3,4,5,6-tetrah...) Show SMILES C(N1CCN(CC1)c1cnccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-21-12-16(22-18)14-23-8-10-24(11-9-23)17-13-19-6-7-20-17/h1-7,12-13H,8-11,14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055811 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-3-yl...) Show SMILES C(N1CCN(CC1)c1cccnc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-5-16(6-3-1)19-21-13-17(22-19)15-23-9-11-24(12-10-23)18-7-4-8-20-14-18/h1-8,13-14H,9-12,15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50057799 (3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic a...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CCCNC(N)N)C(=O)N1CCCCC1 Show InChI InChI=1S/C21H36N6O3S/c1-15-13-16-7-5-9-18(19(16)25-14-15)31(29,30)26-17(8-6-10-24-21(22)23)20(28)27-11-3-2-4-12-27/h5,7,9,15,17,21,24-26H,2-4,6,8,10-14,22-23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition constant against human thrombin				J Med Chem 40: 1539-49 (1997) Article DOI: 10.1021/jm960684e BindingDB Entry DOI: 10.7270/Q2319WJ7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM85136 (CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942) Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055810 (1-Phenyl-4-(2-phenyl-3H-imidazol-4-ylmethyl)-piper...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,15H,11-14,16H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055810 (1-Phenyl-4-(2-phenyl-3H-imidazol-4-ylmethyl)-piper...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C20H22N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,15H,11-14,16H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055811 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-3-yl...) Show SMILES C(N1CCN(CC1)c1cccnc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-5-16(6-3-1)19-21-13-17(22-19)15-23-9-11-24(12-10-23)18-7-4-8-20-14-18/h1-8,13-14H,9-12,15H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055811 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-3-yl...) Show SMILES C(N1CCN(CC1)c1cccnc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-5-16(6-3-1)19-21-13-17(22-19)15-23-9-11-24(12-10-23)18-7-4-8-20-14-18/h1-8,13-14H,9-12,15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50057801 (1-[(S)-5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CCCNC(N)N)C(=O)N1CCCCC1C([O-])=O Show InChI InChI=1S/C22H36N6O5S/c1-14-12-15-6-4-9-18(19(15)26-13-14)34(32,33)27-16(7-5-10-25-22(23)24)20(29)28-11-3-2-8-17(28)21(30)31/h4,6,9,14,16-17,22,25-27H,2-3,5,7-8,10-13,23-24H2,1H3,(H,30,31)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition constant against human thrombin				J Med Chem 40: 1539-49 (1997) Article DOI: 10.1021/jm960684e BindingDB Entry DOI: 10.7270/Q2319WJ7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055814 (4-[4-(2-Phenyl-3H-imidazol-4-ylmethyl)-piperazin-1...) Show SMILES C(N1CCN(CC1)c1ccncn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-20-12-16(22-18)13-23-8-10-24(11-9-23)17-6-7-19-14-21-17/h1-7,12,14H,8-11,13H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055807 (2-[4-(5-Methyl-2-phenyl-3H-imidazol-4-ylmethyl)-pi...) Show SMILES Cc1nc([nH]c1CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C19H22N6/c1-15-17(23-18(22-15)16-6-3-2-4-7-16)14-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9H,10-14H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055808 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-2-yl...) Show SMILES C(N1CCN(CC1)c1ccccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055808 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-2-yl...) Show SMILES C(N1CCN(CC1)c1ccccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM85136 (CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942) Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055807 (2-[4-(5-Methyl-2-phenyl-3H-imidazol-4-ylmethyl)-pi...) Show SMILES Cc1nc([nH]c1CN1CCN(CC1)c1ncccn1)-c1ccccc1 Show InChI InChI=1S/C19H22N6/c1-15-17(23-18(22-15)16-6-3-2-4-7-16)14-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9H,10-14H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055809 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-4-yl...) Show SMILES C(N1CCN(CC1)c1ccncc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-4-16(5-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-6-8-20-9-7-18/h1-9,14H,10-13,15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055813 (4-(2-Phenyl-3H-imidazol-4-ylmethyl)-3,4,5,6-tetrah...) Show SMILES C(N1CCN(CC1)c1cnccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-21-12-16(22-18)14-23-8-10-24(11-9-23)17-13-19-6-7-20-17/h1-7,12-13H,8-11,14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50055814 (4-[4-(2-Phenyl-3H-imidazol-4-ylmethyl)-piperazin-1...) Show SMILES C(N1CCN(CC1)c1ccncn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-20-12-16(22-18)13-23-8-10-24(11-9-23)17-6-7-19-14-21-17/h1-7,12,14H,8-11,13H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055813 (4-(2-Phenyl-3H-imidazol-4-ylmethyl)-3,4,5,6-tetrah...) Show SMILES C(N1CCN(CC1)c1cnccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-21-12-16(22-18)14-23-8-10-24(11-9-23)17-13-19-6-7-20-17/h1-7,12-13H,8-11,14H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50055809 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-4-yl...) Show SMILES C(N1CCN(CC1)c1ccncc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-4-16(5-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-6-8-20-9-7-18/h1-9,14H,10-13,15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055809 (1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-4-yl...) Show SMILES C(N1CCN(CC1)c1ccncc1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C19H21N5/c1-2-4-16(5-3-1)19-21-14-17(22-19)15-23-10-12-24(13-11-23)18-6-8-20-9-7-18/h1-9,14H,10-13,15H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM85136 (CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942) Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055814 (4-[4-(2-Phenyl-3H-imidazol-4-ylmethyl)-piperazin-1...) Show SMILES C(N1CCN(CC1)c1ccncn1)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-20-12-16(22-18)13-23-8-10-24(11-9-23)17-6-7-19-14-21-17/h1-7,12,14H,8-11,13H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151				J Med Chem 40: 1-3 (1997) Article DOI: 10.1021/jm960637m BindingDB Entry DOI: 10.7270/Q21C1W0V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50454549 (CHEMBL2093100) Show SMILES [H][C@@](CCCNC(N)N)(NS(=O)(=O)c1cccc2CC(C)CNc12)C(=O)N1CC[C@H](C)C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H38N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,23,26-28H,4,6,8-13,24-25H2,1-2H3,(H,31,32)/t14-,15?,17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition constant against human thrombin				J Med Chem 40: 1539-49 (1997) Article DOI: 10.1021/jm960684e BindingDB Entry DOI: 10.7270/Q2319WJ7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412735 (CHEMBL454251) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H43ClN4O/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412739 (CHEMBL503033) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412762 (CHEMBL444938) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H43ClN4O2/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)40-32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412738 (CHEMBL445772) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-10-7-11-28(36)22-27)16-19-38(20-17-35)34(41)26-8-3-2-4-9-26/h2-13,22,29-31H,14-21,23-24H2,1H3/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412737 (CHEMBL501085) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H42Cl2N4O/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.24	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412740 (CHEMBL507098) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-11-14-30(36)31(37)21-26)15-18-39(19-16-35)34(42)25-7-3-2-4-8-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3/t27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412741 (CHEMBL442933) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C1CCCC1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C34H44N4O/c1-25-35-31-13-7-8-14-32(31)38(25)30-23-28-15-16-29(24-30)37(28)22-19-34(27-11-3-2-4-12-27)17-20-36(21-18-34)33(39)26-9-5-6-10-26/h2-4,7-8,11-14,26,28-30H,5-6,9-10,15-24H2,1H3/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412736 (CHEMBL499389) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H42Cl2N4O2/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)41-32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412739 (CHEMBL503033) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50080528 (3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r| Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human HeLa cells by luciferase reporter gene assay				J Nat Prod 68: 947-50 (2005) Article DOI: 10.1021/np050029m BindingDB Entry DOI: 10.7270/Q23J3GRV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412742 (CHEMBL505270) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OCc1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C36H42N4O2/c1-27-37-33-14-8-9-15-34(33)40(27)32-24-30-16-17-31(25-32)39(30)23-20-36(29-12-6-3-7-13-29)18-21-38(22-19-36)35(41)42-26-28-10-4-2-5-11-28/h2-15,30-32H,16-26H2,1H3/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412743 (CHEMBL503915) Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C33H44N4O2/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)39-32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50216297 (6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r| Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human HeLa cells by luciferase reporter gene assay				J Nat Prod 68: 947-50 (2005) Article DOI: 10.1021/np050029m BindingDB Entry DOI: 10.7270/Q23J3GRV
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50216297 (6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r| Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by luciferase reporter gene assay				J Nat Prod 68: 947-50 (2005) Article DOI: 10.1021/np050029m BindingDB Entry DOI: 10.7270/Q23J3GRV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50412751 (CHEMBL522493) Show SMILES Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCN(C1)C(=O)c1ccco1 Show InChI InChI=1S/C31H34Cl2N4O3/c32-25-10-9-23(20-26(25)33)30(12-18-36(21-30)28(38)27-8-4-19-40-27)11-5-15-35-16-13-31(14-17-35)29(39)34-22-37(31)24-6-2-1-3-7-24/h1-4,6-10,19-20H,5,11-18,21-22H2,(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
					More data for this Ligand-Target Pair

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