Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'baucke' and Initial = 'd'   

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
Prothrombin (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182201 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:12| Show InChI InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50182198 (((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 Show InChI InChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt 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
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183865 (((R)-2-{(S)-2-[(4-carbamimidoyl-furan-2-ylmethyl)-...) Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1 |c:12| Show InChI InChI=1S/C22H31N5O5/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183877 (((R)-2-{(S)-2-[(4-carbamimidoyl-thiazol-2-ylmethyl...) Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1 |c:12| Show InChI InChI=1S/C21H30N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182196 (((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)C2=[N+](NCC2)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |t:11| Show InChI InChI=1S/C22H31N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17,26H,1-5,8-10,12-13H2,(H5-,23,24,27,28,30,31,32)/p+1/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182194 (CHEMBL206418 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |c:12| Show InChI InChI=1S/C24H33N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h4,7-11,16,19-20,27H,1-3,5-6,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182194 (CHEMBL206418 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |c:12| Show InChI InChI=1S/C24H33N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h4,7-11,16,19-20,27H,1-3,5-6,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183868 (((R)-2-{(S)-2-[(5-carbamimidoyl-4-methyl-thiophen-...) Show SMILES Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(O)=O)sc1C(N)=N |c:9| Show InChI InChI=1S/C23H33N5O4S/c1-14-10-16(33-20(14)21(24)25)12-27-22(31)18-8-5-9-28(18)23(32)17(26-13-19(29)30)11-15-6-3-2-4-7-15/h5,8,10,15,17-18,26H,2-4,6-7,9,11-13H2,1H3,(H3,24,25)(H,27,31)(H,29,30)/t17?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182201 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:12| Show InChI InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50183870 (((R)-2-{(S)-2-[(4-carbamimidoyl-3-chloro-thiophen-...) Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1Cl |c:12| Show InChI InChI=1S/C22H30ClN5O4S/c23-19-14(20(24)25)12-33-17(19)10-27-21(31)16-7-4-8-28(16)22(32)15(26-11-18(29)30)9-13-5-2-1-3-6-13/h4,7,12-13,15-16,26H,1-3,5-6,8-11H2,(H3,24,25)(H,27,31)(H,29,30)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182189 (CHEMBL207187 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 Show InChI InChI=1S/C24H35N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h8-11,16,19-20,27H,1-7,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183879 (((R)-2-{(S)-2-[(4-carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182210 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C23H34N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h8-9,12,15,18-19,27H,1-7,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182197 (((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCNN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183872 (((R)-2-{(S)-2-[(5-carbamimidoyl-4-chloro-thiophen-...) Show SMILES NC(=N)c1sc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1Cl |c:11| Show InChI InChI=1S/C22H30ClN5O4S/c23-15-10-14(33-19(15)20(24)25)11-27-21(31)17-7-4-8-28(17)22(32)16(26-12-18(29)30)9-13-5-2-1-3-6-13/h4,7,10,13,16-17,26H,1-3,5-6,8-9,11-12H2,(H3,24,25)(H,27,31)(H,29,30)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50129034 (((R)-2-{(S)-2-[(5-Carbamimidoyl-1H-pyrrol-2-ylmeth...) Show SMILES Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)ccc1C(N)=N |c:8| Show InChI InChI=1S/C23H34N6O4/c1-28-16(9-10-18(28)21(24)25)13-27-22(32)19-8-5-11-29(19)23(33)17(26-14-20(30)31)12-15-6-3-2-4-7-15/h5,8-10,15,17,19,26H,2-4,6-7,11-14H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50129034 (((R)-2-{(S)-2-[(5-Carbamimidoyl-1H-pyrrol-2-ylmeth...) Show SMILES Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)ccc1C(N)=N |c:8| Show InChI InChI=1S/C23H34N6O4/c1-28-16(9-10-18(28)21(24)25)13-27-22(32)19-8-5-11-29(19)23(33)17(26-14-20(30)31)12-15-6-3-2-4-7-15/h5,8-10,15,17,19,26H,2-4,6-7,11-14H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183880 (((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-3-ylmethy...) Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cs1 |c:11| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-10-15(13-32-18)11-26-21(30)17-7-4-8-27(17)22(31)16(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,16-17,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183878 (((R)-2-{(S)-2-[(4-carbamimidoyl-3-methyl-thiophen-...) Show SMILES Cc1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)scc1C(N)=N |c:8| Show InChI InChI=1S/C23H33N5O4S/c1-14-16(21(24)25)13-33-19(14)11-27-22(31)18-8-5-9-28(18)23(32)17(26-12-20(29)30)10-15-6-3-2-4-7-15/h5,8,13,15,17-18,26H,2-4,6-7,9-12H2,1H3,(H3,24,25)(H,27,31)(H,29,30)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50129033 (((R)-2-{(S)-2-[(5-Carbamimidoyl-1-methyl-1H-pyrrol...) Show SMILES Cn1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1C(N)=N |c:9| Show InChI InChI=1S/C23H34N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8,11,14-15,17-18,26H,2-4,6-7,9-10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50129033 (((R)-2-{(S)-2-[(5-Carbamimidoyl-1-methyl-1H-pyrrol...) Show SMILES Cn1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1C(N)=N |c:9| Show InChI InChI=1S/C23H34N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8,11,14-15,17-18,26H,2-4,6-7,9-10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50182208 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H36N6O4/c25-22(26)18-10-9-17(13-27-18)14-29-23(33)20-8-4-5-11-30(20)24(34)19(28-15-21(31)32)12-16-6-2-1-3-7-16/h9-10,13,16,19-20,28H,1-8,11-12,14-15H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182190 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2SCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H32N6O4S/c23-19(24)16-7-6-15(11-25-16)12-27-20(31)22-28(8-9-33-22)21(32)17(26-13-18(29)30)10-14-4-2-1-3-5-14/h6-7,11,14,17,22,26H,1-5,8-10,12-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50129034 (((R)-2-{(S)-2-[(5-Carbamimidoyl-1H-pyrrol-2-ylmeth...) Show SMILES Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)ccc1C(N)=N |c:8| Show InChI InChI=1S/C23H34N6O4/c1-28-16(9-10-18(28)21(24)25)13-27-22(32)19-8-5-11-29(19)23(33)17(26-14-20(30)31)12-15-6-3-2-4-7-15/h5,8-10,15,17,19,26H,2-4,6-7,11-14H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182207 (CHEMBL208262 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-AL...) Show SMILES C[C@H](N(C)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50183875 (((R)-2-{(S)-2-[(4-carbamimidoyl-oxazol-2-ylmethyl)...) Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1 |c:12| Show InChI InChI=1S/C21H30N6O5/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182193 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC(=C)CN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H34N6O4/c1-15-9-20(23(33)29-12-17-7-8-18(22(25)26)27-11-17)30(14-15)24(34)19(28-13-21(31)32)10-16-5-3-2-4-6-16/h7-8,11,16,19-20,28H,1-6,9-10,12-14H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183887 (((R)-2-{(S)-2-[(3-carbamimidoyl-isoxazol-5-ylmethy...) Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)on1 |c:11| Show InChI InChI=1S/C21H30N6O5/c22-19(23)15-10-14(32-26-15)11-25-20(30)17-7-4-8-27(17)21(31)16(24-12-18(28)29)9-13-5-2-1-3-6-13/h4,7,10,13,16-17,24H,1-3,5-6,8-9,11-12H2,(H3,22,23)(H,25,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183888 (((R)-2-{(S)-2-[(2-carbamimidoyl-thiazol-4-ylmethyl...) Show SMILES NC(=N)c1nc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cs1 |c:11| Show InChI InChI=1S/C21H30N6O4S/c22-18(23)20-26-14(12-32-20)10-25-19(30)16-7-4-8-27(16)21(31)15(24-11-17(28)29)9-13-5-2-1-3-6-13/h4,7,12-13,15-16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182187 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES CC1(C)C[C@H](N(C1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C25H38N6O4/c1-25(2)11-20(23(34)30-13-17-8-9-18(22(26)27)28-12-17)31(15-25)24(35)19(29-14-21(32)33)10-16-6-4-3-5-7-16/h8-9,12,16,19-20,29H,3-7,10-11,13-15H2,1-2H3,(H3,26,27)(H,30,34)(H,32,33)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182191 (((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...) Show SMILES NC(=N)c1ccc(CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H36N6O4/c25-21(26)18-9-8-17(13-27-18)14-29-23(34)24(10-4-5-11-24)30-22(33)19(28-15-20(31)32)12-16-6-2-1-3-7-16/h8-9,13,16,19,28H,1-7,10-12,14-15H2,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	47.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50183866 (((R)-2-{(S)-2-[(5-carbamimidoyl-furan-2-ylmethyl)-...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)o1 |c:12| Show InChI InChI=1S/C22H31N5O5/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183876 (((R)-2-{(S)-2-[(5-carbamimidoyl-pyridin-2-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)nc1 |c:12| Show InChI InChI=1S/C23H32N6O4/c24-21(25)16-8-9-17(26-12-16)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183869 (((R)-2-{(S)-2-[(5-carbamimidoyl-thiazol-2-ylmethyl...) Show SMILES NC(=N)c1cnc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C21H30N6O4S/c22-19(23)16-10-25-17(32-16)11-26-20(30)15-7-4-8-27(15)21(31)14(24-12-18(28)29)9-13-5-2-1-3-6-13/h4,7,10,13-15,24H,1-3,5-6,8-9,11-12H2,(H3,22,23)(H,26,30)(H,28,29)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182204 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H]2N(CCC2=C)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H34N6O4/c1-15-9-10-30(21(15)23(33)29-13-17-7-8-18(22(25)26)27-12-17)24(34)19(28-14-20(31)32)11-16-5-3-2-4-6-16/h7-8,12,16,19,21,28H,1-6,9-11,13-14H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50183890 (((R)-2-{(S)-2-[(5-amino-4-carbamimidoyl-thiophen-2...) Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)sc1N |c:11| Show InChI InChI=1S/C22H32N6O4S/c23-19(24)15-10-14(33-20(15)25)11-27-21(31)17-7-4-8-28(17)22(32)16(26-12-18(29)30)9-13-5-2-1-3-6-13/h4,7,10,13,16-17,26H,1-3,5-6,8-9,11-12,25H2,(H3,23,24)(H,27,31)(H,29,30)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182211 (((R)-2-{(R)-4-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H32N6O4S/c23-20(24)16-7-6-15(9-25-16)10-27-21(31)18-12-33-13-28(18)22(32)17(26-11-19(29)30)8-14-4-2-1-3-5-14/h6-7,9,14,17-18,26H,1-5,8,10-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58.4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	69.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of tPA				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182206 (((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:13| Show InChI InChI=1S/C24H34N6O4/c25-22(26)18-10-9-17(13-27-18)14-29-23(33)20-8-4-5-11-30(20)24(34)19(28-15-21(31)32)12-16-6-2-1-3-7-16/h4-5,9-10,13,16,19-20,28H,1-3,6-8,11-12,14-15H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182188 (((R)-1-{(S)-1-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES C[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C21H32N6O4/c1-13(20(30)26-11-15-7-8-16(19(22)23)24-10-15)27-21(31)17(25-12-18(28)29)9-14-5-3-2-4-6-14/h7-8,10,13-14,17,25H,2-6,9,11-12H2,1H3,(H3,22,23)(H,26,30)(H,27,31)(H,28,29)/t13-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50182205 (((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...) Show SMILES NC(=N)c1ccc(CNC(=O)C2(CCCCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C25H38N6O4/c26-22(27)19-10-9-18(14-28-19)15-30-24(35)25(11-5-2-6-12-25)31-23(34)20(29-16-21(32)33)13-17-7-3-1-4-8-17/h9-10,14,17,20,29H,1-8,11-13,15-16H2,(H3,26,27)(H,30,35)(H,31,34)(H,32,33)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50183865 (((R)-2-{(S)-2-[(4-carbamimidoyl-furan-2-ylmethyl)-...) Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1 |c:12| Show InChI InChI=1S/C22H31N5O5/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of tPA				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50183877 (((R)-2-{(S)-2-[(4-carbamimidoyl-thiazol-2-ylmethyl...) Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1 |c:12| Show InChI InChI=1S/C21H30N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of tPA				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50183877 (((R)-2-{(S)-2-[(4-carbamimidoyl-thiazol-2-ylmethyl...) Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1 |c:12| Show InChI InChI=1S/C21H30N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 76 total )  |  Next  |  Last  >>

Jump to: